REMARK FILENAME="/farm/data/gliu/projects/HR4527/cns/calc12_modhb/refinedPDB_" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:03-Sep-2010 14:05:18 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 15.802 -28.756 1.993 1.00 22.23 ATOM 2 CB MET 1 15.969 -29.616 3.953 1.00 71.54 ATOM 3 HB1 MET 1 15.555 -29.401 4.930 1.00 37.25 ATOM 4 HB2 MET 1 17.037 -29.769 4.059 1.00 53.03 ATOM 5 CG MET 1 15.350 -30.909 3.445 1.00 51.44 ATOM 6 HG1 MET 1 15.579 -31.016 2.392 1.00 37.25 ATOM 7 HG2 MET 1 14.279 -30.851 3.568 1.00 31.12 ATOM 8 SD MET 1 15.973 -32.364 4.308 1.00 41.30 ATOM 9 CE MET 1 14.588 -32.741 5.379 1.00 72.22 ATOM 10 HE1 MET 1 14.819 -33.613 5.973 1.00 41.41 ATOM 11 HE2 MET 1 13.712 -32.937 4.779 1.00 21.12 ATOM 12 HE3 MET 1 14.398 -31.901 6.031 1.00 71.11 ATOM 13 C MET 1 14.364 -27.826 3.263 1.00 14.23 ATOM 14 O MET 1 13.482 -28.480 3.818 1.00 21.52 ATOM 15 N MET 1 16.787 -27.423 3.221 1.00 4.00 ATOM 16 HT1 MET 1 16.759 -26.714 2.464 1.00 37.25 ATOM 17 HT2 MET 1 17.725 -27.867 3.212 1.00 37.25 ATOM 18 HT3 MET 1 16.664 -26.940 4.137 1.00 37.25 ATOM 19 CA MET 1 15.746 -28.424 3.021 1.00 52.31 ATOM 20 N GLY 2 14.182 -26.577 2.844 1.00 74.24 ATOM 21 HN GLY 2 14.892 -26.104 2.363 1.00 37.25 ATOM 22 CA GLY 2 12.904 -25.912 3.025 1.00 64.41 ATOM 23 HA1 GLY 2 12.282 -26.464 3.720 1.00 37.25 ATOM 24 HA2 GLY 2 12.400 -25.872 2.071 1.00 54.12 ATOM 25 C GLY 2 13.056 -24.497 3.546 1.00 43.05 ATOM 26 O GLY 2 12.711 -24.209 4.692 1.00 25.12 ATOM 27 N HIS 3 13.575 -23.610 2.702 1.00 24.31 ATOM 28 HN HIS 3 13.840 -23.903 1.797 1.00 37.25 ATOM 29 CA HIS 3 13.773 -22.217 3.084 1.00 5.33 ATOM 30 HA HIS 3 12.854 -21.860 3.536 1.00 1.10 ATOM 31 CB HIS 3 14.900 -22.103 4.112 1.00 50.32 ATOM 32 HB1 HIS 3 14.578 -22.568 5.033 1.00 37.25 ATOM 33 HB2 HIS 3 15.117 -21.060 4.303 1.00 14.23 ATOM 34 CG HIS 3 16.170 -22.771 3.684 1.00 4.23 ATOM 35 ND1 HIS 3 17.286 -22.073 3.272 1.00 51.11 ATOM 36 HD1 HIS 3 17.363 -21.098 3.216 1.00 2.12 ATOM 37 CD2 HIS 3 16.499 -24.082 3.608 1.00 3.44 ATOM 38 HD2 HIS 3 15.869 -24.914 3.876 1.00 41.34 ATOM 39 CE1 HIS 3 18.245 -22.926 2.959 1.00 2.51 ATOM 40 HE1 HIS 3 19.231 -22.665 2.604 1.00 3.42 ATOM 41 NE2 HIS 3 17.794 -24.151 3.155 1.00 74.20 ATOM 42 HE2 HIS 3 18.270 -24.973 2.914 1.00 37.25 ATOM 43 C HIS 3 14.094 -21.359 1.864 1.00 55.12 ATOM 44 O HIS 3 15.004 -21.670 1.095 1.00 11.10 ATOM 45 N HIS 4 13.339 -20.278 1.691 1.00 33.34 ATOM 46 HN HIS 4 12.618 -20.076 2.331 1.00 37.25 ATOM 47 CA HIS 4 13.542 -19.376 0.564 1.00 41.41 ATOM 48 HA HIS 4 14.442 -19.673 0.033 1.00 70.20 ATOM 49 CB HIS 4 12.358 -19.455 -0.400 1.00 12.41 ATOM 50 HB1 HIS 4 12.274 -18.527 -0.955 1.00 37.25 ATOM 51 HB2 HIS 4 11.448 -19.608 0.162 1.00 31.24 ATOM 52 CG HIS 4 12.470 -20.567 -1.396 1.00 73.14 ATOM 53 ND1 HIS 4 12.720 -21.875 -1.039 1.00 71.21 ATOM 54 HD1 HIS 4 12.805 -22.214 -0.134 1.00 64.24 ATOM 55 CD2 HIS 4 12.362 -20.561 -2.746 1.00 21.33 ATOM 56 HD2 HIS 4 12.165 -19.700 -3.369 1.00 43.22 ATOM 57 CE1 HIS 4 12.763 -22.626 -2.126 1.00 2.55 ATOM 58 HE1 HIS 4 12.941 -23.691 -2.152 1.00 52.22 ATOM 59 NE2 HIS 4 12.549 -21.852 -3.175 1.00 33.33 ATOM 60 HE2 HIS 4 12.617 -22.137 -4.110 1.00 37.25 ATOM 61 C HIS 4 13.727 -17.939 1.044 1.00 23.43 ATOM 62 O HIS 4 12.830 -17.357 1.654 1.00 32.45 ATOM 63 N HIS 5 14.897 -17.374 0.766 1.00 44.51 ATOM 64 HN HIS 5 15.578 -17.889 0.270 1.00 37.25 ATOM 65 CA HIS 5 15.200 -16.005 1.170 1.00 63.10 ATOM 66 HA HIS 5 15.028 -15.921 2.237 1.00 52.03 ATOM 67 CB HIS 5 16.663 -15.674 0.870 1.00 34.34 ATOM 68 HB1 HIS 5 16.802 -14.598 0.866 1.00 37.25 ATOM 69 HB2 HIS 5 16.923 -16.065 -0.103 1.00 72.12 ATOM 70 CG HIS 5 17.623 -16.250 1.865 1.00 31.11 ATOM 71 ND1 HIS 5 17.958 -17.587 1.900 1.00 24.15 ATOM 72 HD1 HIS 5 17.614 -18.279 1.298 1.00 11.43 ATOM 73 CD2 HIS 5 18.322 -15.662 2.864 1.00 43.25 ATOM 74 HD2 HIS 5 18.303 -14.614 3.129 1.00 45.24 ATOM 75 CE1 HIS 5 18.821 -17.797 2.879 1.00 41.43 ATOM 76 HE1 HIS 5 19.258 -18.749 3.143 1.00 4.44 ATOM 77 NE2 HIS 5 19.059 -16.644 3.478 1.00 31.15 ATOM 78 HE2 HIS 5 19.593 -16.530 4.292 1.00 37.25 ATOM 79 C HIS 5 14.286 -15.013 0.458 1.00 73.24 ATOM 80 O HIS 5 13.771 -14.077 1.070 1.00 32.32 ATOM 81 N HIS 6 14.089 -15.224 -0.840 1.00 74.00 ATOM 82 HN HIS 6 14.535 -15.986 -1.282 1.00 37.25 ATOM 83 CA HIS 6 13.236 -14.348 -1.636 1.00 21.10 ATOM 84 HA HIS 6 13.605 -13.335 -1.531 1.00 44.35 ATOM 85 CB HIS 6 13.294 -14.748 -3.111 1.00 11.53 ATOM 86 HB1 HIS 6 12.582 -14.156 -3.674 1.00 37.25 ATOM 87 HB2 HIS 6 13.037 -15.793 -3.203 1.00 44.50 ATOM 88 CG HIS 6 14.642 -14.548 -3.733 1.00 33.22 ATOM 89 ND1 HIS 6 15.497 -13.531 -3.366 1.00 1.14 ATOM 90 HD1 HIS 6 15.320 -12.849 -2.687 1.00 72.12 ATOM 91 CD2 HIS 6 15.281 -15.244 -4.702 1.00 22.12 ATOM 92 HD2 HIS 6 14.904 -16.113 -5.222 1.00 35.33 ATOM 93 CE1 HIS 6 16.604 -13.609 -4.083 1.00 14.40 ATOM 94 HE1 HIS 6 17.452 -12.944 -4.011 1.00 31.04 ATOM 95 NE2 HIS 6 16.498 -14.640 -4.901 1.00 62.12 ATOM 96 HE2 HIS 6 17.213 -14.978 -5.479 1.00 37.25 ATOM 97 C HIS 6 11.794 -14.396 -1.140 1.00 21.01 ATOM 98 O HIS 6 11.315 -15.439 -0.693 1.00 52.32 ATOM 99 N HIS 7 11.107 -13.261 -1.221 1.00 4.33 ATOM 100 HN HIS 7 11.543 -12.459 -1.598 1.00 37.25 ATOM 101 CA HIS 7 9.720 -13.173 -0.780 1.00 32.44 ATOM 102 HA HIS 7 9.632 -13.667 0.177 1.00 15.54 ATOM 103 CB HIS 7 9.298 -11.710 -0.640 1.00 20.52 ATOM 104 HB1 HIS 7 8.223 -11.646 -0.571 1.00 37.25 ATOM 105 HB2 HIS 7 9.631 -11.157 -1.505 1.00 15.23 ATOM 106 CG HIS 7 9.857 -11.040 0.577 1.00 12.32 ATOM 107 ND1 HIS 7 10.222 -11.728 1.715 1.00 42.11 ATOM 108 HD1 HIS 7 10.150 -12.692 1.857 1.00 54.32 ATOM 109 CD2 HIS 7 10.114 -9.735 0.830 1.00 53.03 ATOM 110 HD2 HIS 7 9.949 -8.907 0.155 1.00 64.15 ATOM 111 CE1 HIS 7 10.678 -10.875 2.615 1.00 20.32 ATOM 112 HE1 HIS 7 11.036 -11.129 3.602 1.00 4.40 ATOM 113 NE2 HIS 7 10.623 -9.659 2.103 1.00 62.24 ATOM 114 HE2 HIS 7 10.990 -8.853 2.522 1.00 37.25 ATOM 115 C HIS 7 8.793 -13.891 -1.756 1.00 62.23 ATOM 116 O HIS 7 7.922 -14.661 -1.350 1.00 12.31 ATOM 117 N HIS 8 8.987 -13.634 -3.046 1.00 54.21 ATOM 118 HN HIS 8 9.686 -12.992 -3.315 1.00 37.25 ATOM 119 CA HIS 8 8.168 -14.255 -4.081 1.00 32.41 ATOM 120 HA HIS 8 7.833 -15.225 -3.723 1.00 3.01 ATOM 121 CB HIS 8 6.946 -13.388 -4.384 1.00 10.32 ATOM 122 HB1 HIS 8 6.462 -13.743 -5.286 1.00 37.25 ATOM 123 HB2 HIS 8 7.265 -12.368 -4.533 1.00 52.04 ATOM 124 CG HIS 8 5.922 -13.393 -3.291 1.00 11.41 ATOM 125 ND1 HIS 8 4.772 -14.153 -3.340 1.00 44.41 ATOM 126 HD1 HIS 8 4.511 -14.751 -4.072 1.00 73.01 ATOM 127 CD2 HIS 8 5.880 -12.726 -2.114 1.00 2.42 ATOM 128 HD2 HIS 8 6.609 -12.021 -1.756 1.00 61.21 ATOM 129 CE1 HIS 8 4.067 -13.951 -2.241 1.00 70.54 ATOM 130 HE1 HIS 8 3.120 -14.413 -2.004 1.00 0.14 ATOM 131 NE2 HIS 8 4.718 -13.090 -1.480 1.00 74.03 ATOM 132 HE2 HIS 8 4.466 -12.841 -0.566 1.00 37.25 ATOM 133 C HIS 8 8.978 -14.477 -5.355 1.00 11.33 ATOM 134 O HIS 8 9.867 -13.691 -5.681 1.00 3.43 ATOM 135 N SER 9 8.664 -15.552 -6.070 1.00 44.03 ATOM 136 HN SER 9 7.947 -16.153 -5.758 1.00 37.25 ATOM 137 CA SER 9 9.366 -15.879 -7.306 1.00 23.10 ATOM 138 HA SER 9 9.950 -15.024 -7.625 1.00 25.11 ATOM 139 CB SER 9 10.316 -17.057 -7.081 1.00 70.33 ATOM 140 HB1 SER 9 10.617 -17.477 -8.034 1.00 37.25 ATOM 141 HB2 SER 9 9.816 -17.818 -6.499 1.00 2.11 ATOM 142 OG SER 9 11.483 -16.647 -6.389 1.00 74.32 ATOM 143 HG SER 9 11.296 -16.584 -5.449 1.00 21.10 ATOM 144 C SER 9 8.379 -16.213 -8.420 1.00 15.42 ATOM 145 O SER 9 8.210 -17.375 -8.789 1.00 23.54 ATOM 146 N HIS 10 7.727 -15.184 -8.952 1.00 40.52 ATOM 147 HN HIS 10 7.908 -14.271 -8.626 1.00 37.25 ATOM 148 CA HIS 10 6.756 -15.366 -10.025 1.00 14.11 ATOM 149 HA HIS 10 6.515 -16.421 -10.095 1.00 21.52 ATOM 150 CB HIS 10 5.477 -14.584 -9.722 1.00 31.42 ATOM 151 HB1 HIS 10 5.556 -13.565 -10.076 1.00 37.25 ATOM 152 HB2 HIS 10 5.326 -14.564 -8.651 1.00 53.41 ATOM 153 CG HIS 10 4.247 -15.191 -10.324 1.00 61.12 ATOM 154 ND1 HIS 10 3.247 -14.442 -10.908 1.00 31.45 ATOM 155 HD1 HIS 10 3.235 -13.465 -10.987 1.00 25.13 ATOM 156 CD2 HIS 10 3.860 -16.484 -10.433 1.00 51.50 ATOM 157 HD2 HIS 10 4.406 -17.348 -10.082 1.00 11.42 ATOM 158 CE1 HIS 10 2.297 -15.248 -11.348 1.00 13.15 ATOM 159 HE1 HIS 10 1.391 -14.942 -11.849 1.00 30.24 ATOM 160 NE2 HIS 10 2.645 -16.492 -11.072 1.00 74.04 ATOM 161 HE2 HIS 10 2.079 -17.280 -11.209 1.00 37.25 ATOM 162 C HIS 10 7.334 -14.918 -11.364 1.00 22.32 ATOM 163 O HIS 10 7.168 -13.768 -11.769 1.00 70.31 ATOM 164 N MET 11 8.015 -15.834 -12.045 1.00 34.51 ATOM 165 HN MET 11 8.111 -16.744 -11.678 1.00 37.25 ATOM 166 CA MET 11 8.617 -15.533 -13.338 1.00 63.42 ATOM 167 HA MET 11 8.594 -14.459 -13.496 1.00 23.34 ATOM 168 CB MET 11 10.081 -15.980 -13.359 1.00 54.52 ATOM 169 HB1 MET 11 10.114 -17.054 -13.225 1.00 37.25 ATOM 170 HB2 MET 11 10.596 -15.509 -12.533 1.00 11.32 ATOM 171 CG MET 11 10.809 -15.614 -14.643 1.00 32.54 ATOM 172 HG1 MET 11 11.140 -14.589 -14.562 1.00 37.25 ATOM 173 HG2 MET 11 10.146 -15.702 -15.491 1.00 4.44 ATOM 174 SD MET 11 12.255 -16.650 -14.939 1.00 41.40 ATOM 175 CE MET 11 11.550 -17.927 -15.978 1.00 1.10 ATOM 176 HE1 MET 11 10.584 -18.213 -15.590 1.00 54.12 ATOM 177 HE2 MET 11 12.200 -18.787 -15.985 1.00 12.24 ATOM 178 HE3 MET 11 11.437 -17.552 -16.984 1.00 62.44 ATOM 179 C MET 11 7.850 -16.214 -14.467 1.00 51.23 ATOM 180 O MET 11 7.774 -17.442 -14.528 1.00 41.32 ATOM 181 N LEU 12 7.282 -15.409 -15.359 1.00 60.51 ATOM 182 HN LEU 12 7.365 -14.432 -15.263 1.00 37.25 ATOM 183 CA LEU 12 6.520 -15.934 -16.487 1.00 33.32 ATOM 184 HA LEU 12 6.611 -17.014 -16.509 1.00 15.05 ATOM 185 CB LEU 12 5.039 -15.579 -16.337 1.00 25.14 ATOM 186 HB1 LEU 12 4.509 -16.137 -17.090 1.00 37.25 ATOM 187 HB2 LEU 12 4.912 -14.523 -16.557 1.00 15.12 ATOM 188 CG LEU 12 4.412 -15.878 -14.974 1.00 43.24 ATOM 189 HG LEU 12 4.965 -16.661 -14.480 1.00 44.12 ATOM 190 CD1 LEU 12 4.474 -14.651 -14.078 1.00 20.03 ATOM 191 HD11 LEU 12 3.715 -13.936 -14.368 1.00 3.13 ATOM 192 HD12 LEU 12 5.446 -14.184 -14.148 1.00 25.41 ATOM 193 HD13 LEU 12 4.311 -14.954 -13.069 1.00 51.14 ATOM 194 CD2 LEU 12 2.974 -16.347 -15.141 1.00 24.43 ATOM 195 HD21 LEU 12 2.536 -15.867 -15.990 1.00 20.33 ATOM 196 HD22 LEU 12 2.393 -16.113 -14.258 1.00 45.14 ATOM 197 HD23 LEU 12 2.957 -17.411 -15.296 1.00 3.34 ATOM 198 C LEU 12 7.054 -15.388 -17.807 1.00 21.02 ATOM 199 O LEU 12 7.702 -14.341 -17.842 1.00 24.52 ATOM 200 N THR 13 6.776 -16.103 -18.893 1.00 43.50 ATOM 201 HN THR 13 6.238 -16.919 -18.801 1.00 37.25 ATOM 202 CA THR 13 7.228 -15.689 -20.216 1.00 32.43 ATOM 203 HA THR 13 8.223 -15.267 -20.127 1.00 12.10 ATOM 204 CB THR 13 7.308 -16.887 -21.181 1.00 51.24 ATOM 205 HB THR 13 7.896 -17.665 -20.716 1.00 12.31 ATOM 206 OG1 THR 13 7.938 -16.489 -22.404 1.00 52.21 ATOM 207 HG1 THR 13 8.801 -16.098 -22.229 1.00 21.32 ATOM 208 CG2 THR 13 5.921 -17.438 -21.476 1.00 21.55 ATOM 209 HG21 THR 13 6.020 -18.406 -21.945 1.00 5.10 ATOM 210 HG22 THR 13 5.400 -16.774 -22.150 1.00 2.52 ATOM 211 HG23 THR 13 5.352 -17.544 -20.564 1.00 53.20 ATOM 212 C THR 13 6.301 -14.634 -20.808 1.00 72.44 ATOM 213 O THR 13 6.684 -13.894 -21.715 1.00 22.34 ATOM 214 N LYS 14 5.079 -14.569 -20.291 1.00 73.40 ATOM 215 HN LYS 14 4.803 -15.201 -19.590 1.00 37.25 ATOM 216 CA LYS 14 4.096 -13.603 -20.767 1.00 61.22 ATOM 217 HA LYS 14 4.611 -12.820 -21.314 1.00 51.21 ATOM 218 CB LYS 14 3.085 -14.286 -21.691 1.00 60.11 ATOM 219 HB1 LYS 14 2.170 -14.458 -21.153 1.00 37.25 ATOM 220 HB2 LYS 14 3.476 -15.248 -22.002 1.00 14.11 ATOM 221 CG LYS 14 2.743 -13.471 -22.926 1.00 74.12 ATOM 222 HG1 LYS 14 2.880 -12.416 -22.726 1.00 37.25 ATOM 223 HG2 LYS 14 1.708 -13.654 -23.178 1.00 73.44 ATOM 224 CD LYS 14 3.613 -13.860 -24.110 1.00 0.54 ATOM 225 HD1 LYS 14 3.544 -14.929 -24.266 1.00 37.25 ATOM 226 HD2 LYS 14 4.636 -13.591 -23.896 1.00 51.31 ATOM 227 CE LYS 14 3.174 -13.150 -25.381 1.00 41.31 ATOM 228 HE1 LYS 14 3.542 -12.135 -25.356 1.00 37.25 ATOM 229 HE2 LYS 14 2.092 -13.139 -25.433 1.00 14.15 ATOM 230 NZ LYS 14 3.698 -13.823 -26.602 1.00 32.45 ATOM 231 HZ1 LYS 14 4.739 -13.835 -26.590 1.00 61.12 ATOM 232 HZ2 LYS 14 3.381 -13.314 -27.451 1.00 5.53 ATOM 233 HZ3 LYS 14 3.350 -14.803 -26.653 1.00 41.20 ATOM 234 C LYS 14 3.369 -12.945 -19.599 1.00 23.34 ATOM 235 O LYS 14 3.760 -13.106 -18.442 1.00 32.22 ATOM 236 N HIS 15 2.309 -12.205 -19.908 1.00 23.11 ATOM 237 HN HIS 15 2.047 -12.085 -20.841 1.00 37.25 ATOM 238 CA HIS 15 1.527 -11.525 -18.882 1.00 55.43 ATOM 239 HA HIS 15 2.213 -11.030 -18.201 1.00 72.33 ATOM 240 CB HIS 15 0.620 -10.470 -19.518 1.00 63.24 ATOM 241 HB1 HIS 15 -0.082 -10.101 -18.779 1.00 37.25 ATOM 242 HB2 HIS 15 0.072 -10.920 -20.332 1.00 13.23 ATOM 243 CG HIS 15 1.365 -9.291 -20.065 1.00 60.30 ATOM 244 ND1 HIS 15 1.002 -7.986 -19.808 1.00 33.35 ATOM 245 HD1 HIS 15 0.242 -7.701 -19.259 1.00 12.51 ATOM 246 CD2 HIS 15 2.460 -9.226 -20.858 1.00 71.02 ATOM 247 HD2 HIS 15 3.015 -10.065 -21.255 1.00 41.02 ATOM 248 CE1 HIS 15 1.840 -7.169 -20.420 1.00 72.31 ATOM 249 HE1 HIS 15 1.801 -6.090 -20.397 1.00 21.51 ATOM 250 NE2 HIS 15 2.735 -7.896 -21.064 1.00 75.45 ATOM 251 HE2 HIS 15 3.527 -7.543 -21.521 1.00 37.25 ATOM 252 C HIS 15 0.688 -12.522 -18.089 1.00 14.45 ATOM 253 O HIS 15 -0.477 -12.758 -18.405 1.00 35.21 ATOM 254 N GLY 16 1.289 -13.104 -17.056 1.00 21.04 ATOM 255 HN GLY 16 2.223 -12.883 -16.841 1.00 37.25 ATOM 256 CA GLY 16 0.583 -14.069 -16.234 1.00 32.24 ATOM 257 HA1 GLY 16 -0.258 -13.574 -15.767 1.00 37.25 ATOM 258 HA2 GLY 16 1.235 -14.418 -15.461 1.00 64.34 ATOM 259 C GLY 16 0.061 -15.243 -17.037 1.00 73.54 ATOM 260 O GLY 16 -1.091 -15.649 -16.882 1.00 74.01 ATOM 261 N LYS 17 0.909 -15.791 -17.901 1.00 20.10 ATOM 262 HN LYS 17 1.805 -15.405 -18.011 1.00 37.25 ATOM 263 CA LYS 17 0.528 -16.926 -18.734 1.00 10.24 ATOM 264 HA LYS 17 -0.475 -17.244 -18.476 1.00 14.10 ATOM 265 CB LYS 17 0.541 -16.528 -20.211 1.00 54.42 ATOM 266 HB1 LYS 17 0.223 -17.373 -20.808 1.00 37.25 ATOM 267 HB2 LYS 17 1.554 -16.278 -20.488 1.00 4.32 ATOM 268 CG LYS 17 -0.343 -15.333 -20.527 1.00 21.13 ATOM 269 HG1 LYS 17 0.063 -14.838 -21.397 1.00 37.25 ATOM 270 HG2 LYS 17 -0.342 -14.640 -19.708 1.00 33.11 ATOM 271 CD LYS 17 -1.764 -15.761 -20.853 1.00 21.20 ATOM 272 HD1 LYS 17 -1.769 -16.752 -21.289 1.00 37.25 ATOM 273 HD2 LYS 17 -2.172 -15.060 -21.567 1.00 61.50 ATOM 274 CE LYS 17 -2.645 -15.760 -19.613 1.00 50.32 ATOM 275 HE1 LYS 17 -2.319 -14.985 -18.931 1.00 37.25 ATOM 276 HE2 LYS 17 -2.561 -16.720 -19.128 1.00 30.42 ATOM 277 NZ LYS 17 -4.075 -15.517 -19.949 1.00 52.35 ATOM 278 HZ1 LYS 17 -4.428 -16.260 -20.587 1.00 42.40 ATOM 279 HZ2 LYS 17 -4.186 -14.593 -20.415 1.00 71.40 ATOM 280 HZ3 LYS 17 -4.649 -15.522 -19.081 1.00 42.12 ATOM 281 C LYS 17 1.466 -18.107 -18.506 1.00 44.35 ATOM 282 O LYS 17 1.052 -19.263 -18.575 1.00 13.12 ATOM 283 N ASN 18 2.732 -17.807 -18.235 1.00 4.03 ATOM 284 HN ASN 18 3.032 -16.881 -18.240 1.00 37.25 ATOM 285 CA ASN 18 3.729 -18.844 -17.996 1.00 63.55 ATOM 286 HA ASN 18 4.637 -18.327 -17.725 1.00 64.03 ATOM 287 CB ASN 18 3.285 -19.754 -16.850 1.00 34.53 ATOM 288 HB1 ASN 18 3.070 -20.749 -17.221 1.00 37.25 ATOM 289 HB2 ASN 18 2.388 -19.357 -16.395 1.00 64.42 ATOM 290 CG ASN 18 4.328 -19.856 -15.754 1.00 64.33 ATOM 291 OD1 ASN 18 4.736 -18.850 -15.175 1.00 4.32 ATOM 292 ND2 ASN 18 4.766 -21.076 -15.466 1.00 21.40 ATOM 293 HD21 ASN 18 4.407 -21.847 -15.961 1.00 23.21 ATOM 294 HD22 ASN 18 5.440 -21.161 -14.760 1.00 74.34 ATOM 295 C ASN 18 3.964 -19.673 -19.256 1.00 41.20 ATOM 296 O ASN 18 3.065 -19.877 -20.072 1.00 13.54 ATOM 297 N PRO 19 5.202 -20.163 -19.420 1.00 11.14 ATOM 298 CA PRO 19 5.584 -20.978 -20.577 1.00 1.05 ATOM 299 HA PRO 19 5.344 -20.484 -21.508 1.00 11.14 ATOM 300 CB PRO 19 7.104 -21.100 -20.438 1.00 53.54 ATOM 301 HB1 PRO 19 7.567 -20.317 -21.015 1.00 37.25 ATOM 302 HB2 PRO 19 7.450 -22.064 -20.792 1.00 22.53 ATOM 303 CG PRO 19 7.367 -20.922 -18.983 1.00 21.32 ATOM 304 HG1 PRO 19 8.355 -20.516 -18.835 1.00 37.25 ATOM 305 HG2 PRO 19 7.263 -21.863 -18.483 1.00 25.02 ATOM 306 CD PRO 19 6.324 -19.960 -18.487 1.00 54.34 ATOM 307 HD1 PRO 19 6.692 -18.950 -18.536 1.00 37.25 ATOM 308 HD2 PRO 19 6.055 -20.214 -17.489 1.00 51.43 ATOM 309 C PRO 19 4.935 -22.358 -20.554 1.00 0.45 ATOM 310 O PRO 19 4.516 -22.875 -21.589 1.00 14.20 ATOM 311 N VAL 20 4.855 -22.949 -19.366 1.00 31.22 ATOM 312 HN VAL 20 5.172 -22.471 -18.574 1.00 37.25 ATOM 313 CA VAL 20 4.255 -24.269 -19.208 1.00 2.31 ATOM 314 HA VAL 20 4.885 -24.981 -19.722 1.00 72.21 ATOM 315 CB VAL 20 4.171 -24.673 -17.724 1.00 51.10 ATOM 316 HB VAL 20 3.521 -23.975 -17.212 1.00 72.21 ATOM 317 CG1 VAL 20 3.577 -26.066 -17.583 1.00 32.02 ATOM 318 HG11 VAL 20 3.558 -26.344 -16.537 1.00 33.03 ATOM 319 HG12 VAL 20 4.177 -26.772 -18.121 1.00 63.42 ATOM 320 HG13 VAL 20 2.568 -26.084 -17.966 1.00 70.54 ATOM 321 CG2 VAL 20 5.544 -24.602 -17.074 1.00 44.30 ATOM 322 HG21 VAL 20 5.477 -24.936 -16.047 1.00 60.25 ATOM 323 HG22 VAL 20 5.907 -23.588 -17.087 1.00 54.43 ATOM 324 HG23 VAL 20 6.234 -25.239 -17.610 1.00 2.35 ATOM 325 C VAL 20 2.858 -24.314 -19.816 1.00 12.53 ATOM 326 O VAL 20 2.583 -25.116 -20.707 1.00 44.04 ATOM 327 N MET 21 1.978 -23.446 -19.327 1.00 52.30 ATOM 328 HN MET 21 2.276 -22.806 -18.640 1.00 37.25 ATOM 329 CA MET 21 0.608 -23.385 -19.824 1.00 21.22 ATOM 330 HA MET 21 0.179 -24.377 -19.757 1.00 63.13 ATOM 331 CB MET 21 -0.226 -22.432 -18.966 1.00 54.45 ATOM 332 HB1 MET 21 -1.264 -22.541 -19.252 1.00 37.25 ATOM 333 HB2 MET 21 0.086 -21.415 -19.158 1.00 1.51 ATOM 334 CG MET 21 -0.101 -22.689 -17.474 1.00 33.44 ATOM 335 HG1 MET 21 0.864 -22.340 -17.138 1.00 37.25 ATOM 336 HG2 MET 21 -0.181 -23.752 -17.290 1.00 54.11 ATOM 337 SD MET 21 -1.378 -21.852 -16.515 1.00 2.53 ATOM 338 CE MET 21 -0.704 -20.194 -16.429 1.00 22.33 ATOM 339 HE1 MET 21 0.373 -20.239 -16.369 1.00 74.42 ATOM 340 HE2 MET 21 -1.091 -19.696 -15.552 1.00 4.22 ATOM 341 HE3 MET 21 -0.995 -19.643 -17.310 1.00 4.10 ATOM 342 C MET 21 0.578 -22.936 -21.281 1.00 53.22 ATOM 343 O MET 21 -0.179 -23.473 -22.089 1.00 42.04 ATOM 344 N GLU 22 1.405 -21.948 -21.609 1.00 13.13 ATOM 345 HN GLU 22 1.979 -21.544 -20.916 1.00 37.25 ATOM 346 CA GLU 22 1.470 -21.427 -22.969 1.00 43.20 ATOM 347 HA GLU 22 0.508 -20.996 -23.209 1.00 24.33 ATOM 348 CB GLU 22 2.539 -20.336 -23.070 1.00 72.22 ATOM 349 HB1 GLU 22 3.467 -20.721 -22.673 1.00 37.25 ATOM 350 HB2 GLU 22 2.223 -19.496 -22.465 1.00 14.23 ATOM 351 CG GLU 22 2.789 -19.859 -24.491 1.00 31.11 ATOM 352 HG1 GLU 22 1.870 -19.924 -25.060 1.00 37.25 ATOM 353 HG2 GLU 22 3.533 -20.497 -24.943 1.00 35.45 ATOM 354 CD GLU 22 3.281 -18.426 -24.547 1.00 12.21 ATOM 355 OE1 GLU 22 2.480 -17.511 -24.262 1.00 74.41 ATOM 356 OE2 GLU 22 4.468 -18.219 -24.876 1.00 31.14 ATOM 357 C GLU 22 1.771 -22.543 -23.965 1.00 41.23 ATOM 358 O GLU 22 0.962 -22.840 -24.845 1.00 51.12 ATOM 359 N LEU 23 2.940 -23.157 -23.821 1.00 60.20 ATOM 360 HN LEU 23 3.546 -22.878 -23.096 1.00 37.25 ATOM 361 CA LEU 23 3.350 -24.241 -24.708 1.00 15.31 ATOM 362 HA LEU 23 3.456 -23.834 -25.703 1.00 52.12 ATOM 363 CB LEU 23 4.695 -24.813 -24.259 1.00 1.14 ATOM 364 HB1 LEU 23 4.563 -25.213 -23.260 1.00 37.25 ATOM 365 HB2 LEU 23 5.403 -23.995 -24.198 1.00 72.05 ATOM 366 CG LEU 23 5.288 -25.909 -25.145 1.00 34.45 ATOM 367 HG LEU 23 4.531 -26.628 -25.391 1.00 71.23 ATOM 368 CD1 LEU 23 5.796 -25.322 -26.452 1.00 63.51 ATOM 369 HD11 LEU 23 6.063 -26.125 -27.121 1.00 22.14 ATOM 370 HD12 LEU 23 6.665 -24.712 -26.269 1.00 32.14 ATOM 371 HD13 LEU 23 5.024 -24.722 -26.910 1.00 65.20 ATOM 372 CD2 LEU 23 6.406 -26.639 -24.414 1.00 50.34 ATOM 373 HD21 LEU 23 6.501 -26.272 -23.403 1.00 12.25 ATOM 374 HD22 LEU 23 7.351 -26.503 -24.924 1.00 13.43 ATOM 375 HD23 LEU 23 6.179 -27.687 -24.376 1.00 43.31 ATOM 376 C LEU 23 2.299 -25.346 -24.739 1.00 12.15 ATOM 377 O LEU 23 2.155 -26.051 -25.736 1.00 73.21 ATOM 378 N ASN 24 1.566 -25.489 -23.639 1.00 54.02 ATOM 379 HN ASN 24 1.752 -24.931 -22.852 1.00 37.25 ATOM 380 CA ASN 24 0.526 -26.507 -23.541 1.00 23.42 ATOM 381 HA ASN 24 0.973 -27.457 -23.802 1.00 53.13 ATOM 382 CB ASN 24 -0.025 -26.567 -22.115 1.00 22.23 ATOM 383 HB1 ASN 24 -1.061 -26.252 -22.102 1.00 37.25 ATOM 384 HB2 ASN 24 0.535 -25.908 -21.476 1.00 53.21 ATOM 385 CG ASN 24 0.039 -27.964 -21.528 1.00 75.45 ATOM 386 OD1 ASN 24 -0.102 -28.957 -22.244 1.00 11.54 ATOM 387 ND2 ASN 24 0.251 -28.048 -20.220 1.00 51.23 ATOM 388 HD21 ASN 24 0.355 -27.221 -19.697 1.00 24.15 ATOM 389 HD22 ASN 24 0.296 -28.943 -19.822 1.00 41.03 ATOM 390 C ASN 24 -0.606 -26.226 -24.524 1.00 63.11 ATOM 391 O ASN 24 -1.292 -27.143 -24.973 1.00 73.14 ATOM 392 N GLU 25 -0.793 -24.952 -24.854 1.00 12.14 ATOM 393 HN GLU 25 -0.233 -24.254 -24.457 1.00 37.25 ATOM 394 CA GLU 25 -1.842 -24.550 -25.784 1.00 32.55 ATOM 395 HA GLU 25 -2.625 -25.300 -25.780 1.00 52.12 ATOM 396 CB GLU 25 -2.454 -23.216 -25.352 1.00 31.23 ATOM 397 HB1 GLU 25 -3.193 -22.919 -26.088 1.00 37.25 ATOM 398 HB2 GLU 25 -1.673 -22.469 -25.319 1.00 10.31 ATOM 399 CG GLU 25 -3.119 -23.265 -23.986 1.00 60.03 ATOM 400 HG1 GLU 25 -2.374 -23.059 -23.232 1.00 37.25 ATOM 401 HG2 GLU 25 -3.533 -24.251 -23.820 1.00 35.15 ATOM 402 CD GLU 25 -4.239 -22.253 -23.846 1.00 53.25 ATOM 403 OE1 GLU 25 -5.226 -22.554 -23.142 1.00 5.13 ATOM 404 OE2 GLU 25 -4.130 -21.160 -24.441 1.00 74.43 ATOM 405 C GLU 25 -1.296 -24.436 -27.204 1.00 23.03 ATOM 406 O GLU 25 -2.019 -24.641 -28.178 1.00 73.14 ATOM 407 N LYS 26 -0.013 -24.106 -27.313 1.00 32.31 ATOM 408 HN LYS 26 0.522 -23.947 -26.503 1.00 37.25 ATOM 409 CA LYS 26 0.633 -23.964 -28.612 1.00 71.53 ATOM 410 HA LYS 26 -0.017 -23.390 -29.256 1.00 51.53 ATOM 411 CB LYS 26 1.964 -23.224 -28.465 1.00 11.31 ATOM 412 HB1 LYS 26 2.426 -23.125 -29.431 1.00 37.25 ATOM 413 HB2 LYS 26 2.615 -23.811 -27.830 1.00 2.13 ATOM 414 CG LYS 26 1.828 -21.847 -27.838 1.00 55.23 ATOM 415 HG1 LYS 26 2.812 -21.480 -27.583 1.00 37.25 ATOM 416 HG2 LYS 26 1.239 -21.921 -26.942 1.00 54.22 ATOM 417 CD LYS 26 1.142 -20.871 -28.780 1.00 1.00 ATOM 418 HD1 LYS 26 0.668 -20.105 -28.184 1.00 37.25 ATOM 419 HD2 LYS 26 0.388 -21.371 -29.369 1.00 52.53 ATOM 420 CE LYS 26 2.141 -20.200 -29.711 1.00 35.20 ATOM 421 HE1 LYS 26 3.113 -20.140 -29.238 1.00 37.25 ATOM 422 HE2 LYS 26 1.790 -19.200 -29.919 1.00 21.31 ATOM 423 NZ LYS 26 2.273 -20.931 -31.002 1.00 30.13 ATOM 424 HZ1 LYS 26 1.343 -21.035 -31.459 1.00 13.21 ATOM 425 HZ2 LYS 26 2.676 -21.868 -30.848 1.00 73.34 ATOM 426 HZ3 LYS 26 2.899 -20.403 -31.643 1.00 71.12 ATOM 427 C LYS 26 0.866 -25.328 -29.256 1.00 3.35 ATOM 428 O LYS 26 0.622 -25.512 -30.448 1.00 52.20 ATOM 429 N ARG 27 1.339 -26.280 -28.458 1.00 61.12 ATOM 430 HN ARG 27 1.539 -26.076 -27.515 1.00 37.25 ATOM 431 CA ARG 27 1.605 -27.626 -28.950 1.00 72.44 ATOM 432 HA ARG 27 1.117 -27.750 -29.913 1.00 4.12 ATOM 433 CB ARG 27 3.109 -27.841 -29.124 1.00 25.33 ATOM 434 HB1 ARG 27 3.359 -28.879 -28.929 1.00 37.25 ATOM 435 HB2 ARG 27 3.634 -27.227 -28.404 1.00 52.02 ATOM 436 CG ARG 27 3.622 -27.473 -30.506 1.00 41.33 ATOM 437 HG1 ARG 27 4.669 -27.218 -30.430 1.00 37.25 ATOM 438 HG2 ARG 27 3.070 -26.623 -30.881 1.00 61.51 ATOM 439 CD ARG 27 3.463 -28.626 -31.485 1.00 43.30 ATOM 440 HD1 ARG 27 2.441 -28.659 -31.833 1.00 37.25 ATOM 441 HD2 ARG 27 3.691 -29.556 -30.976 1.00 15.43 ATOM 442 NE ARG 27 4.370 -28.506 -32.623 1.00 62.25 ATOM 443 HE ARG 27 5.183 -29.049 -32.610 1.00 63.44 ATOM 444 CZ ARG 27 4.147 -27.707 -33.660 1.00 54.44 ATOM 445 NH1 ARG 27 3.052 -26.960 -33.702 1.00 10.42 ATOM 446 HH11 ARG 27 2.379 -26.975 -32.967 1.00 22.43 ATOM 447 HH12 ARG 27 2.892 -26.363 -34.491 1.00 74.52 ATOM 448 NH2 ARG 27 5.019 -27.653 -34.659 1.00 3.35 ATOM 449 HH21 ARG 27 5.848 -28.215 -34.634 1.00 33.23 ATOM 450 HH22 ARG 27 4.852 -27.051 -35.442 1.00 41.03 ATOM 451 C ARG 27 1.037 -28.675 -27.999 1.00 33.22 ATOM 452 O ARG 27 1.188 -28.570 -26.781 1.00 54.25 ATOM 453 N ARG 28 0.383 -29.686 -28.562 1.00 53.33 ATOM 454 HN ARG 28 0.305 -29.731 -29.544 1.00 37.25 ATOM 455 CA ARG 28 -0.209 -30.752 -27.764 1.00 75.31 ATOM 456 HA ARG 28 -0.308 -30.414 -26.739 1.00 15.21 ATOM 457 CB ARG 28 -1.604 -31.098 -28.290 1.00 42.11 ATOM 458 HB1 ARG 28 -2.029 -31.889 -27.683 1.00 37.25 ATOM 459 HB2 ARG 28 -1.511 -31.453 -29.308 1.00 45.41 ATOM 460 CG ARG 28 -2.562 -29.918 -28.296 1.00 33.33 ATOM 461 HG1 ARG 28 -3.382 -30.144 -28.963 1.00 37.25 ATOM 462 HG2 ARG 28 -2.053 -29.032 -28.648 1.00 14.32 ATOM 463 CD ARG 28 -3.120 -29.647 -26.907 1.00 43.11 ATOM 464 HD1 ARG 28 -3.471 -28.626 -26.874 1.00 37.25 ATOM 465 HD2 ARG 28 -2.327 -29.772 -26.181 1.00 2.20 ATOM 466 NE ARG 28 -4.232 -30.536 -26.580 1.00 45.33 ATOM 467 HE ARG 28 -4.677 -31.010 -27.321 1.00 40.55 ATOM 468 CZ ARG 28 -4.676 -30.733 -25.344 1.00 51.32 ATOM 469 NH1 ARG 28 -4.107 -30.107 -24.324 1.00 5.53 ATOM 470 HH11 ARG 28 -3.345 -29.478 -24.454 1.00 1.05 ATOM 471 HH12 ARG 28 -4.449 -30.266 -23.395 1.00 0.41 ATOM 472 NH2 ARG 28 -5.693 -31.557 -25.127 1.00 22.11 ATOM 473 HH21 ARG 28 -6.129 -32.033 -25.894 1.00 1.32 ATOM 474 HH22 ARG 28 -6.030 -31.708 -24.195 1.00 45.25 ATOM 475 C ARG 28 0.674 -31.996 -27.778 1.00 70.42 ATOM 476 O ARG 28 1.443 -32.214 -28.714 1.00 13.22 ATOM 477 N GLY 29 0.558 -32.810 -26.733 1.00 24.20 ATOM 478 HN GLY 29 -0.071 -32.595 -26.008 1.00 37.25 ATOM 479 CA GLY 29 1.352 -34.022 -26.645 1.00 5.44 ATOM 480 HA1 GLY 29 1.582 -34.394 -27.636 1.00 37.25 ATOM 481 HA2 GLY 29 0.772 -34.771 -26.126 1.00 12.43 ATOM 482 C GLY 29 2.649 -33.811 -25.887 1.00 74.23 ATOM 483 O GLY 29 3.678 -34.396 -26.228 1.00 53.15 ATOM 484 N LEU 30 2.601 -32.973 -24.858 1.00 31.34 ATOM 485 HN LEU 30 1.746 -32.552 -24.606 1.00 37.25 ATOM 486 CA LEU 30 3.781 -32.685 -24.050 1.00 63.42 ATOM 487 HA LEU 30 4.664 -32.924 -24.618 1.00 11.23 ATOM 488 CB LEU 30 3.828 -31.199 -23.691 1.00 34.20 ATOM 489 HB1 LEU 30 4.846 -30.955 -23.417 1.00 37.25 ATOM 490 HB2 LEU 30 3.195 -31.036 -22.824 1.00 41.33 ATOM 491 CG LEU 30 3.377 -30.230 -24.785 1.00 24.04 ATOM 492 HG LEU 30 2.360 -30.458 -25.069 1.00 24.10 ATOM 493 CD1 LEU 30 3.403 -28.798 -24.273 1.00 25.22 ATOM 494 HD11 LEU 30 2.740 -28.707 -23.424 1.00 32.05 ATOM 495 HD12 LEU 30 3.072 -28.135 -25.052 1.00 62.23 ATOM 496 HD13 LEU 30 4.402 -28.535 -23.974 1.00 3.33 ATOM 497 CD2 LEU 30 4.256 -30.373 -26.019 1.00 20.22 ATOM 498 HD21 LEU 30 4.261 -29.454 -26.592 1.00 32.33 ATOM 499 HD22 LEU 30 3.864 -31.168 -26.637 1.00 23.15 ATOM 500 HD23 LEU 30 5.264 -30.623 -25.728 1.00 63.23 ATOM 501 C LEU 30 3.790 -33.528 -22.779 1.00 21.03 ATOM 502 O LEU 30 2.789 -34.153 -22.428 1.00 11.11 ATOM 503 N LYS 31 4.927 -33.539 -22.090 1.00 75.24 ATOM 504 HN LYS 31 5.703 -33.030 -22.428 1.00 37.25 ATOM 505 CA LYS 31 5.066 -34.302 -20.855 1.00 42.44 ATOM 506 HA LYS 31 4.105 -34.315 -20.350 1.00 33.00 ATOM 507 CB LYS 31 5.470 -35.745 -21.166 1.00 3.34 ATOM 508 HB1 LYS 31 6.308 -35.727 -21.849 1.00 37.25 ATOM 509 HB2 LYS 31 4.640 -36.233 -21.652 1.00 73.20 ATOM 510 CG LYS 31 5.880 -36.539 -19.938 1.00 32.05 ATOM 511 HG1 LYS 31 5.372 -36.154 -19.060 1.00 37.25 ATOM 512 HG2 LYS 31 6.947 -36.431 -19.805 1.00 22.23 ATOM 513 CD LYS 31 5.565 -38.017 -20.099 1.00 1.22 ATOM 514 HD1 LYS 31 6.258 -38.581 -19.491 1.00 37.25 ATOM 515 HD2 LYS 31 5.682 -38.312 -21.135 1.00 13.12 ATOM 516 CE LYS 31 4.151 -38.339 -19.642 1.00 14.54 ATOM 517 HE1 LYS 31 3.860 -37.679 -18.834 1.00 37.25 ATOM 518 HE2 LYS 31 4.135 -39.358 -19.285 1.00 32.22 ATOM 519 NZ LYS 31 3.166 -38.212 -20.752 1.00 45.40 ATOM 520 HZ1 LYS 31 2.958 -37.211 -20.935 1.00 13.12 ATOM 521 HZ2 LYS 31 2.280 -38.690 -20.492 1.00 21.21 ATOM 522 HZ3 LYS 31 3.531 -38.648 -21.626 1.00 11.44 ATOM 523 C LYS 31 6.099 -33.660 -19.934 1.00 33.31 ATOM 524 O LYS 31 7.264 -33.507 -20.302 1.00 74.52 ATOM 525 N TYR 32 5.665 -33.288 -18.735 1.00 33.41 ATOM 526 HN TYR 32 4.725 -33.446 -18.484 1.00 37.25 ATOM 527 CA TYR 32 6.552 -32.663 -17.761 1.00 54.11 ATOM 528 HA TYR 32 7.460 -32.341 -18.263 1.00 41.14 ATOM 529 CB TYR 32 5.885 -31.428 -17.152 1.00 71.22 ATOM 530 HB1 TYR 32 6.513 -31.049 -16.356 1.00 37.25 ATOM 531 HB2 TYR 32 4.929 -31.717 -16.734 1.00 44.21 ATOM 532 CG TYR 32 5.654 -30.313 -18.146 1.00 55.32 ATOM 533 CD1 TYR 32 6.599 -29.311 -18.329 1.00 14.23 ATOM 534 HD1 TYR 32 7.512 -29.333 -17.749 1.00 41.45 ATOM 535 CD2 TYR 32 4.490 -30.261 -18.904 1.00 32.31 ATOM 536 HD2 TYR 32 3.742 -31.031 -18.777 1.00 20.40 ATOM 537 CE1 TYR 32 6.391 -28.289 -19.235 1.00 72.43 ATOM 538 HE1 TYR 32 7.138 -27.521 -19.361 1.00 62.24 ATOM 539 CE2 TYR 32 4.274 -29.244 -19.814 1.00 23.51 ATOM 540 HE2 TYR 32 3.363 -29.222 -20.394 1.00 23.33 ATOM 541 CZ TYR 32 5.227 -28.261 -19.976 1.00 4.34 ATOM 542 OH TYR 32 5.017 -27.246 -20.881 1.00 3.33 ATOM 543 HH TYR 32 4.200 -26.779 -20.676 1.00 11.01 ATOM 544 C TYR 32 6.930 -33.647 -16.658 1.00 51.40 ATOM 545 O TYR 32 6.142 -33.911 -15.751 1.00 73.20 ATOM 546 N GLU 33 8.143 -34.184 -16.744 1.00 32.11 ATOM 547 HN GLU 33 8.737 -33.939 -17.490 1.00 37.25 ATOM 548 CA GLU 33 8.626 -35.139 -15.753 1.00 43.24 ATOM 549 HA GLU 33 7.863 -35.296 -15.001 1.00 15.20 ATOM 550 CB GLU 33 8.931 -36.484 -16.415 1.00 71.24 ATOM 551 HB1 GLU 33 8.086 -36.760 -17.032 1.00 37.25 ATOM 552 HB2 GLU 33 9.056 -37.228 -15.641 1.00 63.24 ATOM 553 CG GLU 33 10.189 -36.472 -17.268 1.00 32.23 ATOM 554 HG1 GLU 33 11.018 -36.807 -16.663 1.00 37.25 ATOM 555 HG2 GLU 33 10.385 -35.465 -17.616 1.00 72.21 ATOM 556 CD GLU 33 10.081 -37.378 -18.479 1.00 63.10 ATOM 557 OE1 GLU 33 9.788 -38.578 -18.299 1.00 30.31 ATOM 558 OE2 GLU 33 10.291 -36.886 -19.608 1.00 15.34 ATOM 559 C GLU 33 9.875 -34.610 -15.052 1.00 75.24 ATOM 560 O GLU 33 10.487 -33.639 -15.498 1.00 54.24 ATOM 561 N LEU 34 10.246 -35.256 -13.953 1.00 0.25 ATOM 562 HN LEU 34 9.726 -36.039 -13.651 1.00 37.25 ATOM 563 CA LEU 34 11.421 -34.852 -13.188 1.00 40.41 ATOM 564 HA LEU 34 11.597 -33.804 -13.357 1.00 75.21 ATOM 565 CB LEU 34 11.179 -35.063 -11.693 1.00 35.13 ATOM 566 HB1 LEU 34 10.955 -36.112 -11.541 1.00 37.25 ATOM 567 HB2 LEU 34 10.305 -34.489 -11.412 1.00 71.45 ATOM 568 CG LEU 34 12.331 -34.677 -10.765 1.00 14.44 ATOM 569 HG LEU 34 13.228 -35.196 -11.068 1.00 73.32 ATOM 570 CD1 LEU 34 12.605 -33.183 -10.847 1.00 54.04 ATOM 571 HD11 LEU 34 11.704 -32.633 -10.631 1.00 22.13 ATOM 572 HD12 LEU 34 12.947 -32.938 -11.841 1.00 54.35 ATOM 573 HD13 LEU 34 13.372 -32.911 -10.134 1.00 54.22 ATOM 574 CD2 LEU 34 12.021 -35.085 -9.332 1.00 24.32 ATOM 575 HD21 LEU 34 10.987 -34.881 -9.102 1.00 21.55 ATOM 576 HD22 LEU 34 12.646 -34.542 -8.645 1.00 71.24 ATOM 577 HD23 LEU 34 12.206 -36.143 -9.218 1.00 41.11 ATOM 578 C LEU 34 12.654 -35.633 -13.631 1.00 32.34 ATOM 579 O LEU 34 12.607 -36.855 -13.774 1.00 24.41 ATOM 580 N ILE 35 13.755 -34.921 -13.843 1.00 51.32 ATOM 581 HN ILE 35 13.741 -33.945 -13.703 1.00 37.25 ATOM 582 CA ILE 35 15.001 -35.548 -14.266 1.00 32.53 ATOM 583 HA ILE 35 14.789 -36.548 -14.630 1.00 73.30 ATOM 584 CB ILE 35 15.672 -34.757 -15.404 1.00 21.31 ATOM 585 HB ILE 35 16.097 -33.851 -15.001 1.00 74.13 ATOM 586 CG1 ILE 35 14.643 -34.390 -16.475 1.00 10.21 ATOM 587 HG11 ILE 35 15.140 -33.878 -17.288 1.00 37.25 ATOM 588 HG12 ILE 35 13.900 -33.732 -16.052 1.00 72.12 ATOM 589 CG2 ILE 35 16.810 -35.564 -16.010 1.00 64.31 ATOM 590 HG21 ILE 35 17.572 -35.738 -15.266 1.00 23.12 ATOM 591 HG22 ILE 35 17.244 -35.016 -16.836 1.00 15.04 ATOM 592 HG23 ILE 35 16.436 -36.513 -16.369 1.00 23.24 ATOM 593 CD1 ILE 35 13.922 -35.586 -17.056 1.00 10.12 ATOM 594 HD11 ILE 35 13.159 -35.256 -17.722 1.00 22.01 ATOM 595 HD12 ILE 35 13.464 -36.166 -16.272 1.00 50.21 ATOM 596 HD13 ILE 35 14.624 -36.203 -17.596 1.00 10.13 ATOM 597 C ILE 35 15.978 -35.670 -13.101 1.00 53.02 ATOM 598 O ILE 35 16.482 -36.755 -12.811 1.00 14.11 ATOM 599 N SER 36 16.239 -34.549 -12.436 1.00 64.31 ATOM 600 HN SER 36 15.813 -33.705 -12.717 1.00 37.25 ATOM 601 CA SER 36 17.158 -34.529 -11.304 1.00 33.35 ATOM 602 HA SER 36 17.325 -35.546 -10.965 1.00 14.03 ATOM 603 CB SER 36 18.503 -33.932 -11.721 1.00 12.41 ATOM 604 HB1 SER 36 18.346 -32.943 -12.119 1.00 37.25 ATOM 605 HB2 SER 36 18.953 -34.557 -12.479 1.00 62.45 ATOM 606 OG SER 36 19.387 -33.844 -10.617 1.00 34.14 ATOM 607 HG SER 36 19.789 -34.702 -10.455 1.00 50.31 ATOM 608 C SER 36 16.572 -33.731 -10.143 1.00 53.10 ATOM 609 O SER 36 15.867 -32.743 -10.349 1.00 63.30 ATOM 610 N GLU 37 16.869 -34.167 -8.923 1.00 32.31 ATOM 611 HN GLU 37 17.430 -34.971 -8.816 1.00 37.25 ATOM 612 CA GLU 37 16.371 -33.494 -7.729 1.00 52.02 ATOM 613 HA GLU 37 16.013 -32.507 -8.002 1.00 73.54 ATOM 614 CB GLU 37 15.202 -34.276 -7.126 1.00 10.31 ATOM 615 HB1 GLU 37 15.513 -35.298 -6.954 1.00 37.25 ATOM 616 HB2 GLU 37 14.399 -34.275 -7.837 1.00 32.52 ATOM 617 CG GLU 37 14.682 -33.686 -5.825 1.00 62.35 ATOM 618 HG1 GLU 37 13.631 -33.918 -5.736 1.00 37.25 ATOM 619 HG2 GLU 37 14.811 -32.616 -5.839 1.00 25.40 ATOM 620 CD GLU 37 15.400 -34.236 -4.608 1.00 12.31 ATOM 621 OE1 GLU 37 15.332 -35.462 -4.382 1.00 5.21 ATOM 622 OE2 GLU 37 16.029 -33.438 -3.881 1.00 63.52 ATOM 623 C GLU 37 17.479 -33.334 -6.693 1.00 0.15 ATOM 624 O GLU 37 17.835 -34.284 -5.994 1.00 74.13 ATOM 625 N THR 38 18.023 -32.124 -6.598 1.00 34.33 ATOM 626 HN THR 38 17.709 -31.398 -7.185 1.00 37.25 ATOM 627 CA THR 38 19.091 -31.839 -5.649 1.00 2.23 ATOM 628 HA THR 38 19.224 -32.703 -5.003 1.00 24.04 ATOM 629 CB THR 38 20.425 -31.569 -6.370 1.00 25.15 ATOM 630 HB THR 38 20.425 -30.556 -6.756 1.00 34.03 ATOM 631 OG1 THR 38 20.580 -32.474 -7.469 1.00 3.15 ATOM 632 HG1 THR 38 21.172 -32.092 -8.122 1.00 11.11 ATOM 633 CG2 THR 38 21.598 -31.721 -5.412 1.00 50.32 ATOM 634 HG21 THR 38 22.520 -31.527 -5.941 1.00 45.40 ATOM 635 HG22 THR 38 21.616 -32.727 -5.017 1.00 1.41 ATOM 636 HG23 THR 38 21.496 -31.016 -4.599 1.00 13.40 ATOM 637 C THR 38 18.746 -30.637 -4.777 1.00 33.12 ATOM 638 O THR 38 18.149 -29.669 -5.246 1.00 5.52 ATOM 639 N GLY 39 19.125 -30.706 -3.504 1.00 60.23 ATOM 640 HN GLY 39 19.608 -31.505 -3.182 1.00 37.25 ATOM 641 CA GLY 39 18.847 -29.616 -2.587 1.00 72.51 ATOM 642 HA1 GLY 39 17.834 -29.289 -2.724 1.00 37.25 ATOM 643 HA2 GLY 39 19.512 -28.795 -2.807 1.00 34.10 ATOM 644 C GLY 39 19.030 -30.018 -1.137 1.00 33.20 ATOM 645 O GLY 39 19.219 -31.195 -0.830 1.00 54.45 ATOM 646 N GLY 40 18.975 -29.037 -0.241 1.00 61.11 ATOM 647 HN GLY 40 18.810 -28.111 -0.537 1.00 37.25 ATOM 648 CA GLY 40 19.140 -29.315 1.174 1.00 52.42 ATOM 649 HA1 GLY 40 19.593 -30.290 1.320 1.00 37.25 ATOM 650 HA2 GLY 40 18.165 -29.319 1.637 1.00 12.14 ATOM 651 C GLY 40 19.999 -28.279 1.871 1.00 24.25 ATOM 652 O GLY 40 19.486 -27.303 2.418 1.00 22.15 ATOM 653 N SER 41 21.311 -28.492 1.854 1.00 22.41 ATOM 654 HN SER 41 21.669 -29.283 1.385 1.00 37.25 ATOM 655 CA SER 41 22.244 -27.572 2.495 1.00 73.42 ATOM 656 HA SER 41 21.721 -27.013 3.262 1.00 32.52 ATOM 657 CB SER 41 23.382 -28.348 3.161 1.00 33.11 ATOM 658 HB1 SER 41 23.942 -27.682 3.801 1.00 37.25 ATOM 659 HB2 SER 41 24.038 -28.759 2.405 1.00 53.14 ATOM 660 OG SER 41 22.880 -29.417 3.944 1.00 30.41 ATOM 661 HG SER 41 23.609 -29.968 4.238 1.00 54.33 ATOM 662 C SER 41 22.812 -26.583 1.483 1.00 43.44 ATOM 663 O SER 41 23.922 -26.075 1.649 1.00 71.11 ATOM 664 N HIS 42 22.043 -26.313 0.432 1.00 4.43 ATOM 665 HN HIS 42 21.168 -26.732 0.338 1.00 37.25 ATOM 666 CA HIS 42 22.469 -25.383 -0.608 1.00 1.01 ATOM 667 HA HIS 42 22.865 -24.505 -0.116 1.00 52.54 ATOM 668 CB HIS 42 23.545 -26.024 -1.485 1.00 74.14 ATOM 669 HB1 HIS 42 23.086 -26.558 -2.308 1.00 37.25 ATOM 670 HB2 HIS 42 24.119 -26.725 -0.895 1.00 44.21 ATOM 671 CG HIS 42 24.514 -25.038 -2.061 1.00 71.35 ATOM 672 ND1 HIS 42 25.162 -25.234 -3.263 1.00 21.24 ATOM 673 HD1 HIS 42 25.061 -26.014 -3.848 1.00 73.35 ATOM 674 CD2 HIS 42 24.943 -23.842 -1.595 1.00 34.21 ATOM 675 HD2 HIS 42 24.644 -23.368 -0.671 1.00 14.34 ATOM 676 CE1 HIS 42 25.949 -24.202 -3.509 1.00 70.12 ATOM 677 HE1 HIS 42 26.579 -24.081 -4.378 1.00 31.45 ATOM 678 NE2 HIS 42 25.834 -23.343 -2.513 1.00 12.14 ATOM 679 HE2 HIS 42 26.236 -22.450 -2.488 1.00 37.25 ATOM 680 C HIS 42 21.285 -24.951 -1.468 1.00 3.31 ATOM 681 O HIS 42 20.181 -25.477 -1.330 1.00 53.31 ATOM 682 N ASP 43 21.524 -23.990 -2.354 1.00 15.23 ATOM 683 HN ASP 43 22.409 -23.578 -2.396 1.00 37.25 ATOM 684 CA ASP 43 20.477 -23.487 -3.236 1.00 41.03 ATOM 685 HA ASP 43 19.747 -22.978 -2.617 1.00 52.30 ATOM 686 CB ASP 43 21.062 -22.495 -4.243 1.00 64.40 ATOM 687 HB1 ASP 43 20.465 -22.491 -5.148 1.00 37.25 ATOM 688 HB2 ASP 43 22.072 -22.787 -4.492 1.00 61.03 ATOM 689 CG ASP 43 21.097 -21.078 -3.706 1.00 42.04 ATOM 690 OD1 ASP 43 20.968 -20.134 -4.514 1.00 65.01 ATOM 691 OD2 ASP 43 21.252 -20.913 -2.479 1.00 2.45 ATOM 692 C ASP 43 19.790 -24.633 -3.973 1.00 2.14 ATOM 693 O ASP 43 20.395 -25.295 -4.816 1.00 44.10 ATOM 694 N LYS 44 18.523 -24.863 -3.647 1.00 54.34 ATOM 695 HN LYS 44 18.092 -24.303 -2.957 1.00 37.25 ATOM 696 CA LYS 44 17.752 -25.928 -4.277 1.00 72.21 ATOM 697 HA LYS 44 18.181 -26.872 -3.963 1.00 4.44 ATOM 698 CB LYS 44 16.291 -25.865 -3.824 1.00 63.24 ATOM 699 HB1 LYS 44 15.674 -26.422 -4.513 1.00 37.25 ATOM 700 HB2 LYS 44 15.972 -24.831 -3.840 1.00 31.03 ATOM 701 CG LYS 44 16.066 -26.399 -2.420 1.00 42.42 ATOM 702 HG1 LYS 44 15.316 -25.793 -1.942 1.00 37.25 ATOM 703 HG2 LYS 44 16.988 -26.320 -1.854 1.00 53.34 ATOM 704 CD LYS 44 15.637 -27.856 -2.439 1.00 61.14 ATOM 705 HD1 LYS 44 16.044 -28.346 -1.567 1.00 37.25 ATOM 706 HD2 LYS 44 16.012 -28.343 -3.330 1.00 70.11 ATOM 707 CE LYS 44 14.122 -27.992 -2.411 1.00 44.43 ATOM 708 HE1 LYS 44 13.868 -29.041 -2.460 1.00 37.25 ATOM 709 HE2 LYS 44 13.706 -27.483 -3.269 1.00 41.10 ATOM 710 NZ LYS 44 13.537 -27.412 -1.171 1.00 14.10 ATOM 711 HZ1 LYS 44 12.564 -27.760 -1.047 1.00 53.14 ATOM 712 HZ2 LYS 44 13.507 -26.377 -1.234 1.00 43.03 ATOM 713 HZ3 LYS 44 14.095 -27.684 -0.333 1.00 31.33 ATOM 714 C LYS 44 17.828 -25.830 -5.797 1.00 44.24 ATOM 715 O LYS 44 17.723 -24.742 -6.364 1.00 60.14 ATOM 716 N ARG 45 18.011 -26.972 -6.451 1.00 61.33 ATOM 717 HN ARG 45 18.102 -27.814 -5.945 1.00 37.25 ATOM 718 CA ARG 45 18.101 -27.014 -7.906 1.00 23.02 ATOM 719 HA ARG 45 17.619 -26.130 -8.311 1.00 31.01 ATOM 720 CB ARG 45 19.566 -27.015 -8.347 1.00 51.44 ATOM 721 HB1 ARG 45 20.040 -27.919 -7.983 1.00 37.25 ATOM 722 HB2 ARG 45 20.059 -26.161 -7.906 1.00 73.12 ATOM 723 CG ARG 45 19.748 -26.941 -9.855 1.00 13.03 ATOM 724 HG1 ARG 45 19.442 -25.963 -10.196 1.00 37.25 ATOM 725 HG2 ARG 45 19.144 -27.696 -10.335 1.00 61.33 ATOM 726 CD ARG 45 21.198 -27.167 -10.253 1.00 32.04 ATOM 727 HD1 ARG 45 21.244 -27.294 -11.325 1.00 37.25 ATOM 728 HD2 ARG 45 21.553 -28.070 -9.772 1.00 74.10 ATOM 729 NE ARG 45 22.051 -26.044 -9.874 1.00 11.23 ATOM 730 HE ARG 45 21.613 -25.204 -9.600 1.00 44.24 ATOM 731 CZ ARG 45 23.378 -26.093 -9.883 1.00 63.14 ATOM 732 NH1 ARG 45 24.001 -27.204 -10.251 1.00 60.24 ATOM 733 HH11 ARG 45 23.497 -28.018 -10.529 1.00 33.11 ATOM 734 HH12 ARG 45 25.003 -27.231 -10.252 1.00 73.31 ATOM 735 NH2 ARG 45 24.086 -25.029 -9.525 1.00 74.11 ATOM 736 HH21 ARG 45 23.622 -24.186 -9.247 1.00 54.43 ATOM 737 HH22 ARG 45 25.088 -25.064 -9.531 1.00 23.24 ATOM 738 C ARG 45 17.391 -28.246 -8.459 1.00 65.14 ATOM 739 O ARG 45 17.504 -29.341 -7.907 1.00 14.30 ATOM 740 N PHE 46 16.661 -28.060 -9.553 1.00 55.15 ATOM 741 HN PHE 46 16.598 -27.160 -9.950 1.00 37.25 ATOM 742 CA PHE 46 15.931 -29.155 -10.181 1.00 70.42 ATOM 743 HA PHE 46 16.311 -30.099 -9.806 1.00 37.25 ATOM 744 CB PHE 46 14.440 -29.060 -9.850 1.00 43.50 ATOM 745 HB1 PHE 46 13.896 -29.797 -10.432 1.00 37.25 ATOM 746 HB2 PHE 46 14.086 -28.074 -10.119 1.00 22.31 ATOM 747 CG PHE 46 14.133 -29.284 -8.397 1.00 63.30 ATOM 748 CD1 PHE 46 13.522 -30.455 -7.977 1.00 43.24 ATOM 749 HD1 PHE 46 13.265 -31.214 -8.703 1.00 74.41 ATOM 750 CD2 PHE 46 14.455 -28.325 -7.451 1.00 4.41 ATOM 751 HD2 PHE 46 14.923 -27.402 -7.761 1.00 54.13 ATOM 752 CE1 PHE 46 13.239 -30.665 -6.641 1.00 32.01 ATOM 753 HE1 PHE 46 12.762 -31.582 -6.327 1.00 14.22 ATOM 754 CE2 PHE 46 14.175 -28.529 -6.113 1.00 72.42 ATOM 755 HE2 PHE 46 14.425 -27.777 -5.388 1.00 3.54 ATOM 756 CZ PHE 46 13.565 -29.700 -5.708 1.00 34.42 ATOM 757 HZ PHE 46 13.345 -29.862 -4.663 1.00 53.23 ATOM 758 C PHE 46 16.129 -29.144 -11.694 1.00 61.42 ATOM 759 O PHE 46 16.563 -28.145 -12.268 1.00 15.03 ATOM 760 N VAL 47 15.809 -30.264 -12.335 1.00 71.11 ATOM 761 HN VAL 47 15.479 -31.040 -11.824 1.00 37.25 ATOM 762 CA VAL 47 15.951 -30.384 -13.781 1.00 73.52 ATOM 763 HA VAL 47 15.999 -29.386 -14.210 1.00 71.14 ATOM 764 CB VAL 47 17.248 -31.125 -14.158 1.00 53.33 ATOM 765 HB VAL 47 17.154 -32.164 -13.867 1.00 52.02 ATOM 766 CG1 VAL 47 17.475 -31.072 -15.661 1.00 70.14 ATOM 767 HG11 VAL 47 17.514 -30.042 -15.987 1.00 52.43 ATOM 768 HG12 VAL 47 16.673 -31.581 -16.174 1.00 72.55 ATOM 769 HG13 VAL 47 18.411 -31.557 -15.904 1.00 42.32 ATOM 770 CG2 VAL 47 18.434 -30.535 -13.411 1.00 11.15 ATOM 771 HG21 VAL 47 18.506 -29.476 -13.617 1.00 14.21 ATOM 772 HG22 VAL 47 19.345 -31.024 -13.731 1.00 53.52 ATOM 773 HG23 VAL 47 18.309 -30.688 -12.350 1.00 4.32 ATOM 774 C VAL 47 14.763 -31.121 -14.390 1.00 52.35 ATOM 775 O VAL 47 14.583 -32.318 -14.171 1.00 31.12 ATOM 776 N MET 48 13.955 -30.396 -15.157 1.00 72.15 ATOM 777 HN MET 48 14.149 -29.442 -15.309 1.00 37.25 ATOM 778 CA MET 48 12.784 -30.981 -15.800 1.00 60.55 ATOM 779 HA MET 48 12.591 -31.958 -15.374 1.00 4.11 ATOM 780 CB MET 48 11.553 -30.105 -15.562 1.00 41.34 ATOM 781 HB1 MET 48 10.670 -30.648 -15.869 1.00 37.25 ATOM 782 HB2 MET 48 11.637 -29.206 -16.161 1.00 1.35 ATOM 783 CG MET 48 11.382 -29.678 -14.114 1.00 31.15 ATOM 784 HG1 MET 48 10.591 -28.960 -14.055 1.00 37.25 ATOM 785 HG2 MET 48 12.292 -29.224 -13.776 1.00 4.15 ATOM 786 SD MET 48 11.007 -31.063 -13.021 1.00 63.03 ATOM 787 CE MET 48 9.245 -31.238 -13.289 1.00 30.13 ATOM 788 HE1 MET 48 8.710 -30.560 -12.650 1.00 43.13 ATOM 789 HE2 MET 48 8.949 -32.251 -13.059 1.00 34.03 ATOM 790 HE3 MET 48 9.011 -31.026 -14.322 1.00 10.51 ATOM 791 C MET 48 13.017 -31.156 -17.298 1.00 14.11 ATOM 792 O MET 48 13.986 -30.635 -17.849 1.00 14.21 ATOM 793 N GLU 49 12.122 -31.892 -17.950 1.00 33.14 ATOM 794 HN GLU 49 11.371 -32.297 -17.453 1.00 37.25 ATOM 795 CA GLU 49 12.232 -32.135 -19.383 1.00 72.21 ATOM 796 HA GLU 49 12.792 -31.326 -19.823 1.00 70.32 ATOM 797 CB GLU 49 12.982 -33.443 -19.645 1.00 44.51 ATOM 798 HB1 GLU 49 12.428 -34.250 -19.194 1.00 37.25 ATOM 799 HB2 GLU 49 13.957 -33.381 -19.181 1.00 11.11 ATOM 800 CG GLU 49 13.152 -33.762 -21.121 1.00 33.01 ATOM 801 HG1 GLU 49 13.369 -32.849 -21.662 1.00 37.25 ATOM 802 HG2 GLU 49 12.231 -34.186 -21.491 1.00 52.12 ATOM 803 CD GLU 49 14.273 -34.749 -21.379 1.00 62.41 ATOM 804 OE1 GLU 49 15.336 -34.322 -21.876 1.00 42.04 ATOM 805 OE2 GLU 49 14.088 -35.949 -21.085 1.00 3.44 ATOM 806 C GLU 49 10.852 -32.189 -20.033 1.00 44.24 ATOM 807 O GLU 49 9.935 -32.828 -19.518 1.00 62.20 ATOM 808 N VAL 50 10.713 -31.512 -21.169 1.00 1.01 ATOM 809 HN VAL 50 11.481 -31.022 -21.542 1.00 37.25 ATOM 810 CA VAL 50 9.447 -31.482 -21.891 1.00 32.21 ATOM 811 HA VAL 50 8.770 -32.187 -21.435 1.00 74.43 ATOM 812 CB VAL 50 8.794 -30.089 -21.822 1.00 42.32 ATOM 813 HB VAL 50 8.666 -29.824 -20.783 1.00 23.22 ATOM 814 CG1 VAL 50 9.691 -29.046 -22.471 1.00 65.15 ATOM 815 HG11 VAL 50 9.306 -28.074 -22.232 1.00 41.14 ATOM 816 HG12 VAL 50 9.698 -29.165 -23.544 1.00 71.01 ATOM 817 HG13 VAL 50 10.699 -29.125 -22.092 1.00 60.01 ATOM 818 CG2 VAL 50 7.424 -30.110 -22.482 1.00 15.43 ATOM 819 HG21 VAL 50 6.943 -29.154 -22.334 1.00 43.23 ATOM 820 HG22 VAL 50 6.816 -30.884 -22.035 1.00 11.31 ATOM 821 HG23 VAL 50 7.520 -30.298 -23.539 1.00 52.25 ATOM 822 C VAL 50 9.638 -31.870 -23.353 1.00 23.13 ATOM 823 O VAL 50 10.517 -31.344 -24.034 1.00 42.32 ATOM 824 N GLU 51 8.809 -32.794 -23.828 1.00 31.13 ATOM 825 HN GLU 51 8.111 -33.172 -23.242 1.00 37.25 ATOM 826 CA GLU 51 8.888 -33.253 -25.210 1.00 12.34 ATOM 827 HA GLU 51 9.871 -33.031 -25.598 1.00 63.44 ATOM 828 CB GLU 51 8.688 -34.768 -25.280 1.00 34.02 ATOM 829 HB1 GLU 51 7.789 -35.018 -24.733 1.00 37.25 ATOM 830 HB2 GLU 51 9.524 -35.257 -24.812 1.00 15.12 ATOM 831 CG GLU 51 8.543 -35.298 -26.696 1.00 54.14 ATOM 832 HG1 GLU 51 9.448 -35.081 -27.244 1.00 37.25 ATOM 833 HG2 GLU 51 7.706 -34.818 -27.178 1.00 73.34 ATOM 834 CD GLU 51 8.301 -36.794 -26.738 1.00 21.33 ATOM 835 OE1 GLU 51 8.603 -37.416 -27.778 1.00 21.25 ATOM 836 OE2 GLU 51 7.810 -37.343 -25.729 1.00 60.41 ATOM 837 C GLU 51 7.846 -32.550 -26.076 1.00 65.43 ATOM 838 O GLU 51 6.643 -32.706 -25.869 1.00 10.42 ATOM 839 N VAL 52 8.319 -31.776 -27.048 1.00 72.44 ATOM 840 HN VAL 52 9.289 -31.678 -27.169 1.00 37.25 ATOM 841 CA VAL 52 7.430 -31.050 -27.947 1.00 71.24 ATOM 842 HA VAL 52 6.401 -31.311 -27.714 1.00 4.33 ATOM 843 CB VAL 52 7.574 -29.527 -27.770 1.00 45.00 ATOM 844 HB VAL 52 8.578 -29.239 -28.054 1.00 71.01 ATOM 845 CG1 VAL 52 6.596 -28.789 -28.671 1.00 62.12 ATOM 846 HG11 VAL 52 6.833 -28.974 -29.707 1.00 45.34 ATOM 847 HG12 VAL 52 6.663 -27.726 -28.484 1.00 43.21 ATOM 848 HG13 VAL 52 5.588 -29.124 -28.467 1.00 51.22 ATOM 849 CG2 VAL 52 7.368 -29.139 -26.314 1.00 12.42 ATOM 850 HG21 VAL 52 6.350 -28.832 -26.151 1.00 5.05 ATOM 851 HG22 VAL 52 8.016 -28.307 -26.086 1.00 62.02 ATOM 852 HG23 VAL 52 7.606 -29.947 -25.649 1.00 23.34 ATOM 853 C VAL 52 7.707 -31.410 -29.403 1.00 13.22 ATOM 854 O VAL 52 8.768 -31.094 -29.940 1.00 4.20 ATOM 855 N ASP 53 6.745 -32.072 -30.036 1.00 14.11 ATOM 856 HN ASP 53 5.914 -32.304 -29.563 1.00 37.25 ATOM 857 CA ASP 53 6.883 -32.474 -31.431 1.00 4.22 ATOM 858 HA ASP 53 5.962 -32.962 -31.711 1.00 3.03 ATOM 859 CB ASP 53 7.116 -31.248 -32.316 1.00 74.42 ATOM 860 HB1 ASP 53 8.171 -31.014 -32.358 1.00 37.25 ATOM 861 HB2 ASP 53 6.591 -30.406 -31.895 1.00 23.34 ATOM 862 CG ASP 53 6.615 -31.454 -33.732 1.00 72.03 ATOM 863 OD1 ASP 53 7.212 -30.874 -34.663 1.00 62.03 ATOM 864 OD2 ASP 53 5.626 -32.196 -33.910 1.00 1.44 ATOM 865 C ASP 53 8.032 -33.464 -31.600 1.00 11.45 ATOM 866 O ASP 53 8.637 -33.551 -32.667 1.00 24.52 ATOM 867 N GLY 54 8.327 -34.207 -30.537 1.00 41.21 ATOM 868 HN GLY 54 7.803 -34.132 -29.711 1.00 37.25 ATOM 869 CA GLY 54 9.403 -35.179 -30.588 1.00 31.40 ATOM 870 HA1 GLY 54 9.549 -35.528 -31.603 1.00 37.25 ATOM 871 HA2 GLY 54 9.126 -36.024 -29.975 1.00 12.24 ATOM 872 C GLY 54 10.713 -34.622 -30.068 1.00 63.23 ATOM 873 O GLY 54 11.641 -35.375 -29.774 1.00 21.15 ATOM 874 N GLN 55 10.790 -33.300 -29.957 1.00 52.05 ATOM 875 HN GLN 55 10.025 -32.736 -30.179 1.00 37.25 ATOM 876 CA GLN 55 11.998 -32.643 -29.472 1.00 72.22 ATOM 877 HA GLN 55 12.851 -33.275 -29.701 1.00 71.32 ATOM 878 CB GLN 55 12.199 -31.306 -30.187 1.00 12.33 ATOM 879 HB1 GLN 55 13.128 -30.861 -29.857 1.00 37.25 ATOM 880 HB2 GLN 55 11.380 -30.653 -29.926 1.00 30.32 ATOM 881 CG GLN 55 12.238 -31.425 -31.702 1.00 32.23 ATOM 882 HG1 GLN 55 11.401 -32.024 -32.038 1.00 37.25 ATOM 883 HG2 GLN 55 13.159 -31.913 -31.984 1.00 11.44 ATOM 884 CD GLN 55 12.180 -30.078 -32.395 1.00 22.30 ATOM 885 OE1 GLN 55 13.196 -29.397 -32.538 1.00 13.44 ATOM 886 NE2 GLN 55 10.989 -29.687 -32.831 1.00 15.02 ATOM 887 HE21 GLN 55 10.211 -30.269 -32.683 1.00 3.51 ATOM 888 HE22 GLN 55 10.937 -28.837 -33.309 1.00 22.43 ATOM 889 C GLN 55 11.929 -32.423 -27.965 1.00 3.44 ATOM 890 O GLN 55 11.067 -31.696 -27.471 1.00 54.32 ATOM 891 N LYS 56 12.844 -33.055 -27.237 1.00 13.20 ATOM 892 HN LYS 56 13.522 -33.614 -27.687 1.00 37.25 ATOM 893 CA LYS 56 12.889 -32.928 -25.785 1.00 53.31 ATOM 894 HA LYS 56 11.882 -32.796 -25.422 1.00 74.15 ATOM 895 CB LYS 56 13.469 -34.198 -25.159 1.00 73.01 ATOM 896 HB1 LYS 56 13.717 -33.999 -24.122 1.00 37.25 ATOM 897 HB2 LYS 56 14.378 -34.464 -25.682 1.00 51.42 ATOM 898 CG LYS 56 12.512 -35.378 -25.180 1.00 44.21 ATOM 899 HG1 LYS 56 11.498 -35.019 -25.121 1.00 37.25 ATOM 900 HG2 LYS 56 12.721 -36.004 -24.324 1.00 22.51 ATOM 901 CD LYS 56 12.675 -36.205 -26.444 1.00 24.40 ATOM 902 HD1 LYS 56 13.701 -36.542 -26.514 1.00 37.25 ATOM 903 HD2 LYS 56 12.436 -35.593 -27.300 1.00 2.53 ATOM 904 CE LYS 56 11.754 -37.416 -26.440 1.00 44.12 ATOM 905 HE1 LYS 56 10.829 -37.129 -26.886 1.00 37.25 ATOM 906 HE2 LYS 56 11.579 -37.748 -25.425 1.00 11.31 ATOM 907 NZ LYS 56 12.325 -38.549 -27.220 1.00 30.34 ATOM 908 HZ1 LYS 56 13.238 -38.844 -26.814 1.00 71.15 ATOM 909 HZ2 LYS 56 12.473 -38.268 -28.212 1.00 5.14 ATOM 910 HZ3 LYS 56 11.673 -39.359 -27.198 1.00 51.03 ATOM 911 C LYS 56 13.721 -31.718 -25.370 1.00 74.44 ATOM 912 O LYS 56 14.798 -31.478 -25.915 1.00 4.34 ATOM 913 N PHE 57 13.214 -30.961 -24.403 1.00 21.22 ATOM 914 HN PHE 57 12.345 -31.194 -24.004 1.00 37.25 ATOM 915 CA PHE 57 13.911 -29.777 -23.915 1.00 1.13 ATOM 916 HA PHE 57 14.914 -29.761 -24.330 1.00 34.03 ATOM 917 CB PHE 57 13.184 -28.509 -24.366 1.00 53.22 ATOM 918 HB1 PHE 57 13.681 -27.648 -23.940 1.00 37.25 ATOM 919 HB2 PHE 57 12.166 -28.538 -23.999 1.00 40.41 ATOM 920 CG PHE 57 13.145 -28.339 -25.858 1.00 2.30 ATOM 921 CD1 PHE 57 12.125 -28.903 -26.607 1.00 14.54 ATOM 922 HD1 PHE 57 11.349 -29.471 -26.112 1.00 12.20 ATOM 923 CD2 PHE 57 14.129 -27.615 -26.512 1.00 1.44 ATOM 924 HD2 PHE 57 14.932 -27.169 -25.941 1.00 60.33 ATOM 925 CE1 PHE 57 12.087 -28.748 -27.980 1.00 24.14 ATOM 926 HE1 PHE 57 11.284 -29.185 -28.547 1.00 24.03 ATOM 927 CE2 PHE 57 14.097 -27.456 -27.884 1.00 72.44 ATOM 928 HE2 PHE 57 14.870 -26.889 -28.381 1.00 11.10 ATOM 929 CZ PHE 57 13.074 -28.023 -28.619 1.00 71.21 ATOM 930 HZ PHE 57 13.047 -27.901 -29.692 1.00 22.54 ATOM 931 C PHE 57 14.021 -29.799 -22.393 1.00 22.20 ATOM 932 O PHE 57 13.027 -29.987 -21.692 1.00 4.52 ATOM 933 N GLN 58 15.237 -29.607 -21.891 1.00 32.32 ATOM 934 HN GLN 58 15.998 -29.448 -22.497 1.00 37.25 ATOM 935 CA GLN 58 15.477 -29.607 -20.453 1.00 2.34 ATOM 936 HA GLN 58 14.595 -29.984 -19.958 1.00 11.33 ATOM 937 CB GLN 58 16.664 -30.510 -20.112 1.00 42.43 ATOM 938 HB1 GLN 58 17.220 -30.087 -19.283 1.00 37.25 ATOM 939 HB2 GLN 58 17.320 -30.567 -20.971 1.00 34.12 ATOM 940 CG GLN 58 16.261 -31.922 -19.719 1.00 3.55 ATOM 941 HG1 GLN 58 15.564 -32.308 -20.451 1.00 37.25 ATOM 942 HG2 GLN 58 15.787 -31.892 -18.753 1.00 4.33 ATOM 943 CD GLN 58 17.445 -32.865 -19.636 1.00 3.31 ATOM 944 OE1 GLN 58 18.598 -32.432 -19.604 1.00 54.31 ATOM 945 NE2 GLN 58 17.167 -34.163 -19.600 1.00 42.43 ATOM 946 HE21 GLN 58 16.233 -34.452 -19.621 1.00 54.25 ATOM 947 HE22 GLN 58 17.920 -34.789 -19.554 1.00 2.53 ATOM 948 C GLN 58 15.737 -28.192 -19.945 1.00 20.32 ATOM 949 O GLN 58 16.291 -27.357 -20.659 1.00 34.41 ATOM 950 N GLY 59 15.333 -27.930 -18.705 1.00 72.04 ATOM 951 HN GLY 59 14.884 -28.633 -18.178 1.00 37.25 ATOM 952 CA GLY 59 15.530 -26.615 -18.123 1.00 62.44 ATOM 953 HA1 GLY 59 14.650 -26.021 -18.309 1.00 37.25 ATOM 954 HA2 GLY 59 16.381 -26.128 -18.590 1.00 14.04 ATOM 955 C GLY 59 15.765 -26.673 -16.627 1.00 31.10 ATOM 956 O GLY 59 15.141 -27.468 -15.924 1.00 63.04 ATOM 957 N ALA 60 16.668 -25.830 -16.138 1.00 41.53 ATOM 958 HN ALA 60 17.139 -25.211 -16.742 1.00 37.25 ATOM 959 CA ALA 60 16.983 -25.788 -14.716 1.00 3.32 ATOM 960 HA ALA 60 16.408 -26.549 -14.198 1.00 12.34 ATOM 961 CB ALA 60 18.455 -26.103 -14.492 1.00 32.41 ATOM 962 HB1 ALA 60 19.066 -25.346 -14.964 1.00 73.22 ATOM 963 HB2 ALA 60 18.684 -27.066 -14.923 1.00 53.20 ATOM 964 HB3 ALA 60 18.665 -26.127 -13.432 1.00 44.54 ATOM 965 C ALA 60 16.634 -24.430 -14.116 1.00 3.12 ATOM 966 O ALA 60 16.704 -23.405 -14.792 1.00 44.24 ATOM 967 N GLY 61 16.257 -24.431 -12.841 1.00 1.43 ATOM 968 HN GLY 61 16.207 -25.284 -12.347 1.00 37.25 ATOM 969 CA GLY 61 15.902 -23.193 -12.172 1.00 12.14 ATOM 970 HA1 GLY 61 14.862 -23.019 -12.340 1.00 37.25 ATOM 971 HA2 GLY 61 16.469 -22.367 -12.587 1.00 25.51 ATOM 972 C GLY 61 16.156 -23.247 -10.678 1.00 71.52 ATOM 973 O GLY 61 17.145 -23.828 -10.231 1.00 0.22 ATOM 974 N SER 62 15.262 -22.640 -9.905 1.00 32.13 ATOM 975 HN SER 62 14.484 -22.207 -10.313 1.00 37.25 ATOM 976 CA SER 62 15.397 -22.617 -8.453 1.00 31.20 ATOM 977 HA SER 62 16.439 -22.758 -8.192 1.00 20.32 ATOM 978 CB SER 62 14.943 -21.266 -7.899 1.00 12.54 ATOM 979 HB1 SER 62 14.064 -20.932 -8.434 1.00 37.25 ATOM 980 HB2 SER 62 15.735 -20.543 -8.025 1.00 60.40 ATOM 981 OG SER 62 14.625 -21.360 -6.521 1.00 30.12 ATOM 982 HG SER 62 15.432 -21.331 -6.000 1.00 55.11 ATOM 983 C SER 62 14.585 -23.740 -7.814 1.00 64.21 ATOM 984 O SER 62 14.985 -24.309 -6.799 1.00 14.00 ATOM 985 N ASN 63 13.443 -24.054 -8.417 1.00 43.44 ATOM 986 HN ASN 63 13.151 -23.550 -9.200 1.00 37.25 ATOM 987 CA ASN 63 12.574 -25.108 -7.908 1.00 21.01 ATOM 988 HA ASN 63 13.168 -25.812 -7.337 1.00 43.24 ATOM 989 CB ASN 63 11.501 -24.515 -6.992 1.00 61.24 ATOM 990 HB1 ASN 63 11.916 -24.421 -5.999 1.00 37.25 ATOM 991 HB2 ASN 63 10.633 -25.157 -6.940 1.00 53.05 ATOM 992 CG ASN 63 11.058 -23.135 -7.439 1.00 72.51 ATOM 993 OD1 ASN 63 11.630 -22.125 -7.031 1.00 3.01 ATOM 994 ND2 ASN 63 10.033 -23.088 -8.282 1.00 13.41 ATOM 995 HD21 ASN 63 9.632 -23.934 -8.574 1.00 63.25 ATOM 996 HD22 ASN 63 9.678 -22.215 -8.525 1.00 72.53 ATOM 997 C ASN 63 11.916 -25.871 -9.053 1.00 61.34 ATOM 998 O ASN 63 12.140 -25.569 -10.226 1.00 11.33 ATOM 999 N LYS 64 11.103 -26.863 -8.706 1.00 55.30 ATOM 1000 HN LYS 64 10.985 -27.079 -7.751 1.00 37.25 ATOM 1001 CA LYS 64 10.409 -27.669 -9.703 1.00 63.44 ATOM 1002 HA LYS 64 11.159 -28.225 -10.251 1.00 35.21 ATOM 1003 CB LYS 64 9.448 -28.645 -9.021 1.00 71.34 ATOM 1004 HB1 LYS 64 8.481 -28.172 -8.886 1.00 37.25 ATOM 1005 HB2 LYS 64 9.845 -28.902 -8.046 1.00 10.31 ATOM 1006 CG LYS 64 9.248 -29.940 -9.791 1.00 14.52 ATOM 1007 HG1 LYS 64 10.199 -30.444 -9.892 1.00 37.25 ATOM 1008 HG2 LYS 64 8.868 -29.694 -10.769 1.00 52.12 ATOM 1009 CD LYS 64 8.247 -30.850 -9.100 1.00 34.04 ATOM 1010 HD1 LYS 64 7.840 -31.531 -9.833 1.00 37.25 ATOM 1011 HD2 LYS 64 7.444 -30.261 -8.676 1.00 10.43 ATOM 1012 CE LYS 64 8.903 -31.662 -7.994 1.00 31.14 ATOM 1013 HE1 LYS 64 8.127 -32.135 -7.410 1.00 37.25 ATOM 1014 HE2 LYS 64 9.476 -31.003 -7.355 1.00 74.32 ATOM 1015 NZ LYS 64 9.803 -32.716 -8.539 1.00 3.54 ATOM 1016 HZ1 LYS 64 10.685 -32.288 -8.873 1.00 43.51 ATOM 1017 HZ2 LYS 64 9.350 -33.223 -9.330 1.00 13.22 ATOM 1018 HZ3 LYS 64 10.030 -33.403 -7.792 1.00 31.32 ATOM 1019 C LYS 64 9.643 -26.785 -10.682 1.00 3.22 ATOM 1020 O LYS 64 9.798 -26.906 -11.897 1.00 63.22 ATOM 1021 N LYS 65 8.817 -25.894 -10.145 1.00 1.45 ATOM 1022 HN LYS 65 8.760 -25.839 -9.166 1.00 37.25 ATOM 1023 CA LYS 65 8.029 -24.986 -10.969 1.00 54.13 ATOM 1024 HA LYS 65 7.324 -25.573 -11.535 1.00 31.11 ATOM 1025 CB LYS 65 7.266 -23.994 -10.087 1.00 64.43 ATOM 1026 HB1 LYS 65 6.629 -23.389 -10.717 1.00 37.25 ATOM 1027 HB2 LYS 65 7.961 -23.346 -9.590 1.00 14.10 ATOM 1028 CG LYS 65 6.400 -24.660 -9.033 1.00 33.15 ATOM 1029 HG1 LYS 65 5.953 -23.892 -8.416 1.00 37.25 ATOM 1030 HG2 LYS 65 7.009 -25.296 -8.413 1.00 30.20 ATOM 1031 CD LYS 65 5.299 -25.497 -9.662 1.00 70.14 ATOM 1032 HD1 LYS 65 4.849 -26.097 -8.884 1.00 37.25 ATOM 1033 HD2 LYS 65 5.707 -26.154 -10.414 1.00 15.34 ATOM 1034 CE LYS 65 4.225 -24.623 -10.292 1.00 21.12 ATOM 1035 HE1 LYS 65 4.129 -24.897 -11.332 1.00 37.25 ATOM 1036 HE2 LYS 65 4.503 -23.579 -10.225 1.00 2.42 ATOM 1037 NZ LYS 65 2.904 -24.805 -9.630 1.00 14.43 ATOM 1038 HZ1 LYS 65 2.966 -24.552 -8.621 1.00 70.30 ATOM 1039 HZ2 LYS 65 2.592 -25.795 -9.710 1.00 23.24 ATOM 1040 HZ3 LYS 65 2.194 -24.195 -10.083 1.00 10.24 ATOM 1041 C LYS 65 8.919 -24.230 -11.950 1.00 51.23 ATOM 1042 O LYS 65 8.729 -24.308 -13.164 1.00 74.01 ATOM 1043 N VAL 66 9.892 -23.499 -11.417 1.00 4.24 ATOM 1044 HN VAL 66 10.012 -23.508 -10.462 1.00 37.25 ATOM 1045 CA VAL 66 10.814 -22.731 -12.245 1.00 51.33 ATOM 1046 HA VAL 66 10.248 -21.951 -12.739 1.00 54.14 ATOM 1047 CB VAL 66 11.916 -22.071 -11.396 1.00 22.04 ATOM 1048 HB VAL 66 12.478 -22.847 -10.910 1.00 33.11 ATOM 1049 CG1 VAL 66 12.869 -21.279 -12.278 1.00 60.32 ATOM 1050 HG11 VAL 66 13.626 -20.809 -11.666 1.00 44.25 ATOM 1051 HG12 VAL 66 12.318 -20.512 -12.804 1.00 73.11 ATOM 1052 HG13 VAL 66 13.345 -21.923 -12.995 1.00 24.32 ATOM 1053 CG2 VAL 66 11.303 -21.180 -10.326 1.00 34.30 ATOM 1054 HG21 VAL 66 11.772 -21.394 -9.382 1.00 45.13 ATOM 1055 HG22 VAL 66 10.241 -21.344 -10.244 1.00 54.22 ATOM 1056 HG23 VAL 66 11.469 -20.137 -10.565 1.00 1.20 ATOM 1057 C VAL 66 11.464 -23.612 -13.306 1.00 51.10 ATOM 1058 O VAL 66 11.499 -23.259 -14.484 1.00 73.14 ATOM 1059 N ALA 67 11.978 -24.761 -12.879 1.00 52.22 ATOM 1060 HN ALA 67 11.923 -24.988 -11.921 1.00 37.25 ATOM 1061 CA ALA 67 12.625 -25.694 -13.793 1.00 32.43 ATOM 1062 HA ALA 67 13.453 -25.184 -14.268 1.00 5.00 ATOM 1063 CB ALA 67 13.186 -26.882 -13.024 1.00 50.50 ATOM 1064 HB1 ALA 67 12.380 -27.417 -12.543 1.00 2.53 ATOM 1065 HB2 ALA 67 13.877 -26.527 -12.273 1.00 44.24 ATOM 1066 HB3 ALA 67 13.706 -27.543 -13.703 1.00 1.25 ATOM 1067 C ALA 67 11.655 -26.170 -14.870 1.00 4.54 ATOM 1068 O ALA 67 12.055 -26.452 -15.999 1.00 44.43 ATOM 1069 N LYS 68 10.378 -26.257 -14.513 1.00 5.12 ATOM 1070 HN LYS 68 10.116 -26.040 -13.592 1.00 37.25 ATOM 1071 CA LYS 68 9.351 -26.698 -15.448 1.00 55.53 ATOM 1072 HA LYS 68 9.712 -27.586 -15.957 1.00 65.25 ATOM 1073 CB LYS 68 8.060 -27.034 -14.698 1.00 72.42 ATOM 1074 HB1 LYS 68 7.218 -26.782 -15.327 1.00 37.25 ATOM 1075 HB2 LYS 68 8.001 -26.447 -13.796 1.00 22.11 ATOM 1076 CG LYS 68 7.948 -28.498 -14.307 1.00 10.32 ATOM 1077 HG1 LYS 68 8.644 -28.671 -13.509 1.00 37.25 ATOM 1078 HG2 LYS 68 8.193 -29.127 -15.153 1.00 11.42 ATOM 1079 CD LYS 68 6.553 -28.837 -13.808 1.00 42.43 ATOM 1080 HD1 LYS 68 6.278 -28.153 -13.016 1.00 37.25 ATOM 1081 HD2 LYS 68 6.559 -29.846 -13.424 1.00 62.51 ATOM 1082 CE LYS 68 5.524 -28.744 -14.925 1.00 4.22 ATOM 1083 HE1 LYS 68 5.927 -29.161 -15.807 1.00 37.25 ATOM 1084 HE2 LYS 68 5.296 -27.703 -15.096 1.00 73.35 ATOM 1085 NZ LYS 68 4.261 -29.450 -14.575 1.00 30.21 ATOM 1086 HZ1 LYS 68 3.838 -29.033 -13.720 1.00 34.01 ATOM 1087 HZ2 LYS 68 4.446 -30.459 -14.400 1.00 74.11 ATOM 1088 HZ3 LYS 68 3.581 -29.368 -15.358 1.00 14.32 ATOM 1089 C LYS 68 9.076 -25.626 -16.499 1.00 33.32 ATOM 1090 O LYS 68 8.697 -25.934 -17.628 1.00 74.33 ATOM 1091 N ALA 69 9.271 -24.368 -16.119 1.00 52.22 ATOM 1092 HN ALA 69 9.560 -24.173 -15.200 1.00 37.25 ATOM 1093 CA ALA 69 9.047 -23.252 -17.030 1.00 3.22 ATOM 1094 HA ALA 69 8.123 -23.431 -17.560 1.00 52.11 ATOM 1095 CB ALA 69 8.898 -21.955 -16.248 1.00 50.24 ATOM 1096 HB1 ALA 69 9.040 -21.102 -16.893 1.00 35.51 ATOM 1097 HB2 ALA 69 9.633 -21.925 -15.457 1.00 72.31 ATOM 1098 HB3 ALA 69 7.909 -21.913 -15.815 1.00 24.22 ATOM 1099 C ALA 69 10.181 -23.134 -18.042 1.00 44.14 ATOM 1100 O ALA 69 9.944 -23.029 -19.246 1.00 15.51 ATOM 1101 N TYR 70 11.414 -23.152 -17.548 1.00 10.32 ATOM 1102 HN TYR 70 11.542 -23.237 -16.573 1.00 37.25 ATOM 1103 CA TYR 70 12.585 -23.044 -18.410 1.00 1.53 ATOM 1104 HA TYR 70 12.517 -22.111 -18.943 1.00 21.44 ATOM 1105 CB TYR 70 13.865 -23.073 -17.572 1.00 51.45 ATOM 1106 HB1 TYR 70 14.699 -23.379 -18.194 1.00 37.25 ATOM 1107 HB2 TYR 70 13.748 -23.792 -16.772 1.00 2.41 ATOM 1108 CG TYR 70 14.225 -21.733 -16.971 1.00 23.35 ATOM 1109 CD1 TYR 70 14.499 -21.611 -15.614 1.00 14.44 ATOM 1110 HD1 TYR 70 14.448 -22.487 -14.984 1.00 35.31 ATOM 1111 CD2 TYR 70 14.292 -20.591 -17.758 1.00 15.41 ATOM 1112 HD2 TYR 70 14.086 -20.663 -18.816 1.00 24.11 ATOM 1113 CE1 TYR 70 14.828 -20.389 -15.059 1.00 14.21 ATOM 1114 HE1 TYR 70 15.038 -20.315 -14.002 1.00 60.20 ATOM 1115 CE2 TYR 70 14.621 -19.365 -17.212 1.00 61.11 ATOM 1116 HE2 TYR 70 14.668 -18.489 -17.842 1.00 20.31 ATOM 1117 CZ TYR 70 14.888 -19.269 -15.862 1.00 61.33 ATOM 1118 OH TYR 70 15.215 -18.050 -15.315 1.00 24.15 ATOM 1119 HH TYR 70 14.930 -17.325 -15.882 1.00 64.41 ATOM 1120 C TYR 70 12.611 -24.170 -19.438 1.00 32.53 ATOM 1121 O TYR 70 12.944 -23.955 -20.603 1.00 32.43 ATOM 1122 N ALA 71 12.256 -25.373 -18.997 1.00 13.11 ATOM 1123 HN ALA 71 12.014 -25.491 -18.048 1.00 37.25 ATOM 1124 CA ALA 71 12.235 -26.534 -19.878 1.00 31.02 ATOM 1125 HA ALA 71 13.242 -26.705 -20.234 1.00 73.13 ATOM 1126 CB ALA 71 11.792 -27.771 -19.110 1.00 54.23 ATOM 1127 HB1 ALA 71 11.835 -28.636 -19.757 1.00 15.12 ATOM 1128 HB2 ALA 71 10.780 -27.636 -18.755 1.00 71.10 ATOM 1129 HB3 ALA 71 12.449 -27.922 -18.267 1.00 41.22 ATOM 1130 C ALA 71 11.322 -26.298 -21.076 1.00 42.53 ATOM 1131 O ALA 71 11.618 -26.733 -22.189 1.00 13.22 ATOM 1132 N ALA 72 10.212 -25.606 -20.841 1.00 51.04 ATOM 1133 HN ALA 72 10.021 -25.282 -19.929 1.00 37.25 ATOM 1134 CA ALA 72 9.257 -25.311 -21.902 1.00 51.13 ATOM 1135 HA ALA 72 9.194 -26.159 -22.566 1.00 54.23 ATOM 1136 CB ALA 72 7.872 -25.077 -21.316 1.00 45.01 ATOM 1137 HB1 ALA 72 7.933 -24.324 -20.544 1.00 34.40 ATOM 1138 HB2 ALA 72 7.504 -25.997 -20.890 1.00 71.55 ATOM 1139 HB3 ALA 72 7.193 -24.744 -22.088 1.00 74.00 ATOM 1140 C ALA 72 9.699 -24.101 -22.718 1.00 43.12 ATOM 1141 O ALA 72 9.556 -24.078 -23.941 1.00 63.14 ATOM 1142 N LEU 73 10.236 -23.097 -22.034 1.00 43.54 ATOM 1143 HN LEU 73 10.307 -23.162 -21.053 1.00 37.25 ATOM 1144 CA LEU 73 10.699 -21.882 -22.696 1.00 44.32 ATOM 1145 HA LEU 73 9.845 -21.419 -23.156 1.00 4.21 ATOM 1146 CB LEU 73 11.320 -20.926 -21.675 1.00 74.13 ATOM 1147 HB1 LEU 73 12.193 -20.457 -22.119 1.00 37.25 ATOM 1148 HB2 LEU 73 11.655 -21.504 -20.826 1.00 51.11 ATOM 1149 CG LEU 73 10.409 -19.810 -21.161 1.00 23.42 ATOM 1150 HG LEU 73 9.569 -20.248 -20.670 1.00 61.24 ATOM 1151 CD1 LEU 73 11.141 -18.953 -20.140 1.00 34.14 ATOM 1152 HD11 LEU 73 11.465 -19.571 -19.314 1.00 4.33 ATOM 1153 HD12 LEU 73 10.477 -18.184 -19.769 1.00 73.35 ATOM 1154 HD13 LEU 73 12.003 -18.490 -20.601 1.00 65.34 ATOM 1155 CD2 LEU 73 9.908 -18.956 -22.316 1.00 33.11 ATOM 1156 HD21 LEU 73 9.665 -17.976 -21.960 1.00 15.51 ATOM 1157 HD22 LEU 73 9.025 -19.409 -22.740 1.00 41.34 ATOM 1158 HD23 LEU 73 10.670 -18.874 -23.082 1.00 14.22 ATOM 1159 C LEU 73 11.715 -22.209 -23.786 1.00 40.32 ATOM 1160 O LEU 73 11.724 -21.585 -24.847 1.00 61.21 ATOM 1161 N ALA 74 12.568 -23.192 -23.517 1.00 52.04 ATOM 1162 HN ALA 74 12.529 -23.645 -22.642 1.00 37.25 ATOM 1163 CA ALA 74 13.585 -23.605 -24.477 1.00 14.12 ATOM 1164 HA ALA 74 14.247 -22.767 -24.648 1.00 51.33 ATOM 1165 CB ALA 74 14.412 -24.749 -23.909 1.00 40.33 ATOM 1166 HB1 ALA 74 13.760 -25.569 -23.660 1.00 34.43 ATOM 1167 HB2 ALA 74 14.921 -24.413 -23.018 1.00 14.31 ATOM 1168 HB3 ALA 74 15.143 -25.074 -24.638 1.00 41.42 ATOM 1169 C ALA 74 12.954 -24.013 -25.804 1.00 32.33 ATOM 1170 O ALA 74 13.508 -23.753 -26.871 1.00 61.42 ATOM 1171 N ALA 75 11.792 -24.654 -25.729 1.00 21.52 ATOM 1172 HN ALA 75 11.391 -24.840 -24.848 1.00 37.25 ATOM 1173 CA ALA 75 11.086 -25.097 -26.924 1.00 74.53 ATOM 1174 HA ALA 75 11.815 -25.385 -27.673 1.00 11.43 ATOM 1175 CB ALA 75 10.238 -26.322 -26.613 1.00 71.01 ATOM 1176 HB1 ALA 75 10.711 -26.902 -25.838 1.00 54.44 ATOM 1177 HB2 ALA 75 10.134 -26.922 -27.502 1.00 71.54 ATOM 1178 HB3 ALA 75 9.255 -26.020 -26.272 1.00 75.43 ATOM 1179 C ALA 75 10.217 -23.981 -27.494 1.00 31.20 ATOM 1180 O ALA 75 9.922 -23.958 -28.690 1.00 25.42 ATOM 1181 N LEU 76 9.809 -23.057 -26.631 1.00 74.14 ATOM 1182 HN LEU 76 10.052 -23.135 -25.685 1.00 37.25 ATOM 1183 CA LEU 76 8.972 -21.937 -27.049 1.00 21.22 ATOM 1184 HA LEU 76 8.212 -22.316 -27.713 1.00 23.23 ATOM 1185 CB LEU 76 8.305 -21.292 -25.833 1.00 22.13 ATOM 1186 HB1 LEU 76 8.293 -20.214 -25.962 1.00 37.25 ATOM 1187 HB2 LEU 76 8.914 -21.505 -24.970 1.00 51.01 ATOM 1188 CG LEU 76 6.875 -21.743 -25.533 1.00 61.14 ATOM 1189 HG LEU 76 6.814 -22.812 -25.620 1.00 51.00 ATOM 1190 CD1 LEU 76 6.486 -21.374 -24.111 1.00 14.44 ATOM 1191 HD11 LEU 76 6.527 -20.300 -23.988 1.00 1.21 ATOM 1192 HD12 LEU 76 7.170 -21.841 -23.416 1.00 12.13 ATOM 1193 HD13 LEU 76 5.482 -21.720 -23.908 1.00 34.11 ATOM 1194 CD2 LEU 76 5.903 -21.130 -26.531 1.00 31.32 ATOM 1195 HD21 LEU 76 5.413 -20.265 -26.099 1.00 52.32 ATOM 1196 HD22 LEU 76 5.156 -21.862 -26.795 1.00 5.54 ATOM 1197 HD23 LEU 76 6.425 -20.821 -27.425 1.00 55.32 ATOM 1198 C LEU 76 9.793 -20.897 -27.805 1.00 15.13 ATOM 1199 O LEU 76 9.332 -20.330 -28.795 1.00 63.53 ATOM 1200 N GLU 77 11.010 -20.653 -27.331 1.00 4.32 ATOM 1201 HN GLU 77 11.334 -21.149 -26.545 1.00 37.25 ATOM 1202 CA GLU 77 11.895 -19.681 -27.964 1.00 31.44 ATOM 1203 HA GLU 77 11.302 -18.832 -28.284 1.00 70.40 ATOM 1204 CB GLU 77 12.947 -19.191 -26.967 1.00 30.14 ATOM 1205 HB1 GLU 77 13.439 -18.332 -27.397 1.00 37.25 ATOM 1206 HB2 GLU 77 13.682 -19.975 -26.817 1.00 14.04 ATOM 1207 CG GLU 77 12.374 -18.828 -25.607 1.00 24.53 ATOM 1208 HG1 GLU 77 12.771 -19.513 -24.876 1.00 37.25 ATOM 1209 HG2 GLU 77 11.295 -18.899 -25.616 1.00 42.14 ATOM 1210 CD GLU 77 12.747 -17.424 -25.173 1.00 33.03 ATOM 1211 OE1 GLU 77 13.840 -16.955 -25.553 1.00 33.02 ATOM 1212 OE2 GLU 77 11.944 -16.794 -24.453 1.00 11.14 ATOM 1213 C GLU 77 12.580 -20.285 -29.187 1.00 14.14 ATOM 1214 O GLU 77 13.061 -19.565 -30.062 1.00 3.15 ATOM 1215 N LYS 78 12.620 -21.612 -29.240 1.00 55.12 ATOM 1216 HN LYS 78 12.224 -22.148 -28.516 1.00 37.25 ATOM 1217 CA LYS 78 13.244 -22.315 -30.355 1.00 11.42 ATOM 1218 HA LYS 78 14.021 -21.685 -30.775 1.00 24.55 ATOM 1219 CB LYS 78 13.886 -23.616 -29.869 1.00 4.34 ATOM 1220 HB1 LYS 78 13.117 -24.271 -29.481 1.00 37.25 ATOM 1221 HB2 LYS 78 14.567 -23.371 -29.065 1.00 65.23 ATOM 1222 CG LYS 78 14.682 -24.339 -30.941 1.00 44.12 ATOM 1223 HG1 LYS 78 15.556 -24.774 -30.472 1.00 37.25 ATOM 1224 HG2 LYS 78 14.999 -23.637 -31.703 1.00 3.34 ATOM 1225 CD LYS 78 13.864 -25.439 -31.596 1.00 25.52 ATOM 1226 HD1 LYS 78 13.284 -25.000 -32.391 1.00 37.25 ATOM 1227 HD2 LYS 78 13.204 -25.900 -30.872 1.00 12.13 ATOM 1228 CE LYS 78 14.757 -26.519 -32.189 1.00 34.32 ATOM 1229 HE1 LYS 78 14.141 -27.208 -32.742 1.00 37.25 ATOM 1230 HE2 LYS 78 15.254 -27.043 -31.386 1.00 65.43 ATOM 1231 NZ LYS 78 15.782 -25.950 -33.106 1.00 50.42 ATOM 1232 HZ1 LYS 78 15.344 -25.296 -33.790 1.00 32.43 ATOM 1233 HZ2 LYS 78 16.244 -26.717 -33.635 1.00 3.34 ATOM 1234 HZ3 LYS 78 16.509 -25.438 -32.567 1.00 32.44 ATOM 1235 C LYS 78 12.224 -22.617 -31.448 1.00 14.43 ATOM 1236 O LYS 78 12.447 -22.315 -32.621 1.00 5.12 ATOM 1237 N LEU 79 11.103 -23.212 -31.056 1.00 34.11 ATOM 1238 HN LEU 79 10.976 -23.421 -30.101 1.00 37.25 ATOM 1239 CA LEU 79 10.046 -23.553 -32.002 1.00 64.55 ATOM 1240 HA LEU 79 10.500 -23.927 -32.910 1.00 14.11 ATOM 1241 CB LEU 79 9.141 -24.638 -31.417 1.00 32.41 ATOM 1242 HB1 LEU 79 8.426 -24.915 -32.183 1.00 37.25 ATOM 1243 HB2 LEU 79 8.593 -24.220 -30.584 1.00 53.41 ATOM 1244 CG LEU 79 9.840 -25.914 -30.946 1.00 72.21 ATOM 1245 HG LEU 79 10.486 -25.685 -30.115 1.00 20.03 ATOM 1246 CD1 LEU 79 8.820 -26.940 -30.477 1.00 14.45 ATOM 1247 HD11 LEU 79 9.331 -27.826 -30.126 1.00 31.14 ATOM 1248 HD12 LEU 79 8.165 -27.205 -31.296 1.00 21.30 ATOM 1249 HD13 LEU 79 8.234 -26.525 -29.669 1.00 70.30 ATOM 1250 CD2 LEU 79 10.705 -26.490 -32.058 1.00 54.10 ATOM 1251 HD21 LEU 79 11.253 -27.342 -31.682 1.00 20.00 ATOM 1252 HD22 LEU 79 11.396 -25.758 -32.413 1.00 64.02 ATOM 1253 HD23 LEU 79 10.076 -26.808 -32.878 1.00 12.23 ATOM 1254 C LEU 79 9.219 -22.324 -32.362 1.00 12.42 ATOM 1255 O LEU 79 8.826 -22.142 -33.514 1.00 74.03 ATOM 1256 N PHE 80 8.960 -21.480 -31.368 1.00 74.20 ATOM 1257 HN PHE 80 9.286 -21.670 -30.460 1.00 37.25 ATOM 1258 CA PHE 80 8.180 -20.266 -31.579 1.00 71.24 ATOM 1259 HA PHE 80 7.864 -20.212 -32.613 1.00 24.11 ATOM 1260 CB PHE 80 6.922 -20.285 -30.709 1.00 12.32 ATOM 1261 HB1 PHE 80 6.277 -19.475 -31.020 1.00 37.25 ATOM 1262 HB2 PHE 80 7.189 -20.133 -29.673 1.00 51.13 ATOM 1263 CG PHE 80 6.138 -21.561 -30.815 1.00 72.44 ATOM 1264 CD1 PHE 80 5.488 -21.895 -31.993 1.00 43.32 ATOM 1265 HD1 PHE 80 5.547 -21.229 -32.843 1.00 14.22 ATOM 1266 CD2 PHE 80 6.051 -22.428 -29.738 1.00 73.42 ATOM 1267 HD2 PHE 80 6.553 -22.194 -28.832 1.00 75.35 ATOM 1268 CE1 PHE 80 4.766 -23.069 -32.094 1.00 14.55 ATOM 1269 HE1 PHE 80 4.264 -23.317 -33.018 1.00 64.21 ATOM 1270 CE2 PHE 80 5.330 -23.604 -29.833 1.00 13.02 ATOM 1271 HE2 PHE 80 5.271 -24.271 -28.989 1.00 13.04 ATOM 1272 CZ PHE 80 4.687 -23.925 -31.013 1.00 2.25 ATOM 1273 HZ PHE 80 4.126 -24.837 -31.091 1.00 70.24 ATOM 1274 C PHE 80 9.010 -19.025 -31.266 1.00 64.03 ATOM 1275 O PHE 80 8.755 -18.303 -30.302 1.00 25.51 ATOM 1276 N PRO 81 10.029 -18.770 -32.100 1.00 44.23 ATOM 1277 CA PRO 81 10.919 -17.616 -31.934 1.00 32.41 ATOM 1278 HA PRO 81 11.343 -17.582 -30.940 1.00 32.51 ATOM 1279 CB PRO 81 12.028 -17.874 -32.956 1.00 44.45 ATOM 1280 HB1 PRO 81 12.844 -18.391 -32.473 1.00 37.25 ATOM 1281 HB2 PRO 81 12.390 -16.943 -33.376 1.00 61.42 ATOM 1282 CG PRO 81 11.394 -18.733 -33.995 1.00 44.23 ATOM 1283 HG1 PRO 81 12.145 -19.356 -34.458 1.00 37.25 ATOM 1284 HG2 PRO 81 10.909 -18.123 -34.739 1.00 61.24 ATOM 1285 CD PRO 81 10.392 -19.587 -33.270 1.00 75.25 ATOM 1286 HD1 PRO 81 10.860 -20.502 -32.967 1.00 37.25 ATOM 1287 HD2 PRO 81 9.537 -19.780 -33.900 1.00 54.41 ATOM 1288 C PRO 81 10.217 -16.296 -32.230 1.00 51.43 ATOM 1289 O PRO 81 10.330 -15.337 -31.467 1.00 0.53 ATOM 1290 N ASP 82 9.492 -16.253 -33.343 1.00 11.14 ATOM 1291 HN ASP 82 9.395 -17.047 -33.901 1.00 37.25 ATOM 1292 CA ASP 82 8.770 -15.050 -33.739 1.00 51.50 ATOM 1293 HA ASP 82 8.298 -15.259 -34.688 1.00 40.02 ATOM 1294 CB ASP 82 7.704 -14.702 -32.698 1.00 64.12 ATOM 1295 HB1 ASP 82 8.148 -14.144 -31.882 1.00 37.25 ATOM 1296 HB2 ASP 82 7.282 -15.617 -32.306 1.00 31.02 ATOM 1297 CG ASP 82 6.570 -13.883 -33.282 1.00 61.00 ATOM 1298 OD1 ASP 82 6.135 -12.916 -32.622 1.00 33.44 ATOM 1299 OD2 ASP 82 6.118 -14.208 -34.400 1.00 4.02 ATOM 1300 C ASP 82 9.727 -13.875 -33.917 1.00 22.14 ATOM 1301 O ASP 82 9.347 -12.717 -33.741 1.00 75.14 ATOM 1302 N THR 83 10.973 -14.181 -34.265 1.00 23.23 ATOM 1303 HN THR 83 11.226 -15.118 -34.422 1.00 37.25 ATOM 1304 CA THR 83 11.986 -13.152 -34.464 1.00 30.23 ATOM 1305 HA THR 83 11.489 -12.267 -34.848 1.00 51.21 ATOM 1306 CB THR 83 12.694 -12.798 -33.142 1.00 63.05 ATOM 1307 HB THR 83 13.704 -12.462 -33.341 1.00 10.34 ATOM 1308 OG1 THR 83 12.765 -13.954 -32.300 1.00 3.53 ATOM 1309 HG1 THR 83 13.495 -14.513 -32.580 1.00 70.11 ATOM 1310 CG2 THR 83 11.960 -11.680 -32.418 1.00 3.12 ATOM 1311 HG21 THR 83 11.829 -10.836 -33.081 1.00 63.25 ATOM 1312 HG22 THR 83 12.538 -11.372 -31.559 1.00 25.13 ATOM 1313 HG23 THR 83 10.996 -12.034 -32.089 1.00 55.43 ATOM 1314 C THR 83 13.029 -13.597 -35.483 1.00 12.32 ATOM 1315 O THR 83 13.199 -14.785 -35.755 1.00 75.41 ATOM 1316 N PRO 84 13.746 -12.622 -36.061 1.00 11.43 ATOM 1317 CA PRO 84 14.786 -12.889 -37.058 1.00 50.05 ATOM 1318 HA PRO 84 14.404 -13.490 -37.873 1.00 54.41 ATOM 1319 CB PRO 84 15.146 -11.495 -37.577 1.00 44.35 ATOM 1320 HB1 PRO 84 14.559 -11.281 -38.457 1.00 37.25 ATOM 1321 HB2 PRO 84 16.199 -11.435 -37.824 1.00 74.21 ATOM 1322 CG PRO 84 14.792 -10.572 -36.463 1.00 32.22 ATOM 1323 HG1 PRO 84 14.541 -9.599 -36.858 1.00 37.25 ATOM 1324 HG2 PRO 84 15.619 -10.496 -35.772 1.00 15.51 ATOM 1325 CD PRO 84 13.597 -11.183 -35.784 1.00 50.01 ATOM 1326 HD1 PRO 84 12.684 -10.800 -36.216 1.00 37.25 ATOM 1327 HD2 PRO 84 13.633 -10.968 -34.735 1.00 64.40 ATOM 1328 C PRO 84 16.011 -13.565 -36.452 1.00 40.21 ATOM 1329 O PRO 84 16.331 -13.358 -35.281 1.00 11.23 ATOM 1330 N LEU 85 16.694 -14.373 -37.256 1.00 14.13 ATOM 1331 HN LEU 85 16.387 -14.501 -38.186 1.00 37.25 ATOM 1332 CA LEU 85 17.885 -15.079 -36.798 1.00 61.31 ATOM 1333 HA LEU 85 18.599 -14.346 -36.449 1.00 44.32 ATOM 1334 CB LEU 85 17.533 -16.019 -35.643 1.00 40.43 ATOM 1335 HB1 LEU 85 17.531 -15.426 -34.739 1.00 37.25 ATOM 1336 HB2 LEU 85 18.303 -16.773 -35.536 1.00 32.10 ATOM 1337 CG LEU 85 16.179 -16.723 -35.740 1.00 25.30 ATOM 1338 HG LEU 85 15.389 -15.995 -35.794 1.00 72.51 ATOM 1339 CD1 LEU 85 16.111 -17.577 -36.997 1.00 14.21 ATOM 1340 HD11 LEU 85 15.214 -18.183 -36.979 1.00 22.31 ATOM 1341 HD12 LEU 85 16.976 -18.224 -37.054 1.00 3.21 ATOM 1342 HD13 LEU 85 16.081 -16.937 -37.865 1.00 51.53 ATOM 1343 CD2 LEU 85 15.931 -17.573 -34.502 1.00 53.31 ATOM 1344 HD21 LEU 85 14.961 -18.046 -34.575 1.00 53.34 ATOM 1345 HD22 LEU 85 15.955 -16.946 -33.621 1.00 33.11 ATOM 1346 HD23 LEU 85 16.696 -18.334 -34.422 1.00 0.23 ATOM 1347 C LEU 85 18.520 -15.871 -37.937 1.00 51.10 ATOM 1348 O LEU 85 18.014 -15.877 -39.059 1.00 45.20 ATOM 1349 N ALA 86 19.629 -16.539 -37.640 1.00 22.54 ATOM 1350 HN ALA 86 20.013 -16.476 -36.735 1.00 37.25 ATOM 1351 CA ALA 86 20.331 -17.338 -38.637 1.00 54.02 ATOM 1352 HA ALA 86 19.699 -17.448 -39.513 1.00 31.43 ATOM 1353 CB ALA 86 21.600 -16.628 -39.084 1.00 21.31 ATOM 1354 HB1 ALA 86 22.274 -16.524 -38.245 1.00 71.01 ATOM 1355 HB2 ALA 86 21.347 -15.648 -39.462 1.00 31.21 ATOM 1356 HB3 ALA 86 22.081 -17.200 -39.865 1.00 74.03 ATOM 1357 C ALA 86 20.660 -18.726 -38.097 1.00 50.51 ATOM 1358 O ALA 86 21.475 -18.871 -37.185 1.00 40.40 ATOM 1359 N LEU 87 20.021 -19.743 -38.664 1.00 45.15 ATOM 1360 HN LEU 87 19.387 -19.570 -39.400 1.00 37.25 ATOM 1361 CA LEU 87 20.246 -21.120 -38.239 1.00 63.13 ATOM 1362 HA LEU 87 20.563 -21.123 -37.203 1.00 41.03 ATOM 1363 CB LEU 87 18.953 -21.928 -38.356 1.00 71.42 ATOM 1364 HB1 LEU 87 19.144 -22.920 -37.965 1.00 37.25 ATOM 1365 HB2 LEU 87 18.702 -22.017 -39.406 1.00 13.23 ATOM 1366 CG LEU 87 17.735 -21.356 -37.630 1.00 5.45 ATOM 1367 HG LEU 87 17.447 -20.427 -38.101 1.00 21.10 ATOM 1368 CD1 LEU 87 16.558 -22.314 -37.724 1.00 2.34 ATOM 1369 HD11 LEU 87 16.813 -23.254 -37.252 1.00 3.22 ATOM 1370 HD12 LEU 87 16.315 -22.489 -38.763 1.00 34.41 ATOM 1371 HD13 LEU 87 15.699 -21.884 -37.227 1.00 72.13 ATOM 1372 CD2 LEU 87 18.072 -21.062 -36.175 1.00 30.43 ATOM 1373 HD21 LEU 87 17.186 -20.717 -35.659 1.00 64.05 ATOM 1374 HD22 LEU 87 18.828 -20.293 -36.122 1.00 42.13 ATOM 1375 HD23 LEU 87 18.437 -21.960 -35.695 1.00 64.01 ATOM 1376 C LEU 87 21.345 -21.774 -39.071 1.00 21.32 ATOM 1377 O LEU 87 22.061 -22.653 -38.590 1.00 73.45 ATOM 1378 N ASP 88 21.474 -21.338 -40.319 1.00 22.11 ATOM 1379 HN ASP 88 20.894 -20.612 -40.645 1.00 37.25 ATOM 1380 CA ASP 88 22.488 -21.879 -41.217 1.00 2.33 ATOM 1381 HA ASP 88 22.663 -22.918 -40.961 1.00 53.20 ATOM 1382 CB ASP 88 22.003 -21.816 -42.666 1.00 12.42 ATOM 1383 HB1 ASP 88 22.532 -22.556 -43.247 1.00 37.25 ATOM 1384 HB2 ASP 88 22.192 -20.834 -43.082 1.00 15.43 ATOM 1385 CG ASP 88 20.517 -22.087 -42.791 1.00 34.21 ATOM 1386 OD1 ASP 88 19.763 -21.136 -43.086 1.00 31.42 ATOM 1387 OD2 ASP 88 20.107 -23.250 -42.593 1.00 31.50 ATOM 1388 C ASP 88 23.802 -21.117 -41.074 1.00 23.22 ATOM 1389 O ASP 88 24.274 -20.490 -42.022 1.00 14.34 ATOM 1390 N ALA 89 24.388 -21.176 -39.882 1.00 70.43 ATOM 1391 HN ALA 89 23.972 -21.698 -39.160 1.00 37.25 ATOM 1392 CA ALA 89 25.648 -20.493 -39.616 1.00 33.45 ATOM 1393 HA ALA 89 26.252 -20.525 -40.518 1.00 35.41 ATOM 1394 CB ALA 89 25.394 -19.031 -39.280 1.00 25.23 ATOM 1395 HB1 ALA 89 24.853 -18.567 -40.091 1.00 64.41 ATOM 1396 HB2 ALA 89 26.337 -18.520 -39.140 1.00 31.01 ATOM 1397 HB3 ALA 89 24.808 -18.962 -38.374 1.00 62.34 ATOM 1398 C ALA 89 26.412 -21.173 -38.485 1.00 20.24 ATOM 1399 O ALA 89 25.850 -21.463 -37.430 1.00 33.44 ATOM 1400 N ASN 90 27.697 -21.425 -38.713 1.00 30.13 ATOM 1401 HN ASN 90 28.102 -21.173 -39.573 1.00 37.25 ATOM 1402 CA ASN 90 28.538 -22.072 -37.713 1.00 22.44 ATOM 1403 HA ASN 90 29.502 -22.262 -38.163 1.00 4.20 ATOM 1404 CB ASN 90 28.718 -21.159 -36.498 1.00 50.25 ATOM 1405 HB1 ASN 90 29.199 -21.709 -35.699 1.00 37.25 ATOM 1406 HB2 ASN 90 27.759 -20.810 -36.154 1.00 61.14 ATOM 1407 CG ASN 90 29.582 -19.951 -36.807 1.00 14.13 ATOM 1408 OD1 ASN 90 30.668 -19.792 -36.249 1.00 72.14 ATOM 1409 ND2 ASN 90 29.101 -19.092 -37.698 1.00 60.24 ATOM 1410 HD21 ASN 90 28.231 -19.248 -38.105 1.00 24.11 ATOM 1411 HD22 ASN 90 29.656 -18.314 -37.916 1.00 1.11 ATOM 1412 C ASN 90 27.937 -23.405 -37.276 1.00 13.32 ATOM 1413 O ASN 90 27.963 -23.753 -36.095 1.00 71.53 ATOM 1414 N LYS 91 27.395 -24.146 -38.236 1.00 63.42 ATOM 1415 HN LYS 91 27.420 -23.827 -39.169 1.00 37.25 ATOM 1416 HA LYS 91 26.106 -25.311 -37.134 1.00 12.31 ATOM 1417 CB LYS 91 26.020 -25.946 -39.176 1.00 55.24 ATOM 1418 HB1 LYS 91 26.722 -26.119 -39.981 1.00 37.25 ATOM 1419 HB2 LYS 91 25.325 -25.178 -39.491 1.00 31.45 ATOM 1420 CG LYS 91 25.262 -27.239 -38.928 1.00 42.22 ATOM 1421 HG1 LYS 91 25.802 -27.878 -38.241 1.00 37.25 ATOM 1422 HG2 LYS 91 25.162 -27.753 -39.873 1.00 53.14 ATOM 1423 CD LYS 91 23.867 -26.973 -38.388 1.00 2.03 ATOM 1424 HD1 LYS 91 23.253 -27.839 -38.590 1.00 37.25 ATOM 1425 HD2 LYS 91 23.437 -26.110 -38.881 1.00 72.52 ATOM 1426 CE LYS 91 23.888 -26.728 -36.887 1.00 23.54 ATOM 1427 HE1 LYS 91 24.133 -25.693 -36.710 1.00 37.25 ATOM 1428 HE2 LYS 91 24.633 -27.361 -36.422 1.00 50.12 ATOM 1429 NZ LYS 91 22.568 -27.013 -36.260 1.00 11.24 ATOM 1430 HZ1 LYS 91 22.617 -26.837 -35.236 1.00 52.03 ATOM 1431 HZ2 LYS 91 22.301 -28.007 -36.414 1.00 34.40 ATOM 1432 HZ3 LYS 91 21.832 -26.400 -36.670 1.00 21.25 ATOM 1433 CA LYS 91 26.789 -25.442 -37.953 1.00 54.41 ATOM 1434 C LYS 91 27.848 -26.462 -37.549 1.00 71.13 ATOM 1435 OT1 LYS 91 28.810 -26.661 -38.324 1.00 37.25 ATOM 1436 OT2 LYS 91 27.710 -27.057 -36.459 1.00 37.25 ATOM 1437 OH2 TIP3 1 2.233 -34.772 -37.439 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 1 2.184 -35.727 -37.476 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 1 1.407 -34.504 -37.037 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 2 -0.485 -30.904 -36.332 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 2 -0.285 -30.480 -37.167 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 2 0.171 -30.561 -35.725 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 3 1.778 -37.731 -37.496 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 3 0.926 -37.493 -37.863 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 3 2.368 -37.748 -38.249 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 4 1.507 -32.675 -39.534 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 4 1.020 -33.410 -39.905 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 4 2.056 -33.068 -38.856 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 5 -0.042 -36.885 -34.896 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 5 -0.908 -36.990 -34.502 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 5 0.334 -36.126 -34.449 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 6 -0.120 -33.621 -36.726 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 6 -0.902 -33.807 -37.246 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 6 -0.192 -32.692 -36.509 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 7 -1.931 -37.541 -26.119 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 7 -2.372 -38.261 -25.669 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 7 -1.944 -36.820 -25.489 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 8 -7.248 -38.047 -24.015 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 8 -6.944 -38.733 -24.609 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 8 -6.526 -37.929 -23.397 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 9 1.807 -44.968 -20.918 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 9 1.118 -44.310 -21.013 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 9 1.822 -45.165 -19.981 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 10 -4.773 -37.134 -28.797 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 10 -5.069 -37.456 -29.648 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 10 -5.097 -36.234 -28.755 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 11 -1.419 -35.701 -23.771 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 11 -2.361 -35.643 -23.610 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 11 -1.143 -34.795 -23.908 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 12 -2.008 -36.019 -28.637 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 12 -2.265 -36.709 -29.249 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 12 -1.937 -36.462 -27.792 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 13 -2.443 -40.281 -29.436 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 13 -3.175 -40.053 -28.863 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 13 -1.996 -40.995 -28.981 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 14 -2.546 -42.107 -20.368 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 14 -2.466 -41.344 -19.796 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 14 -3.147 -41.828 -21.059 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 15 -9.431 -36.223 -24.872 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 15 -9.526 -36.801 -25.629 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 15 -8.702 -36.594 -24.376 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 16 -4.122 -35.379 -23.186 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 16 -4.363 -34.717 -22.538 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 16 -4.320 -36.213 -22.761 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 17 -5.846 -34.382 -28.316 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 17 -5.372 -34.087 -27.538 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 17 -6.409 -33.644 -28.549 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 18 1.316 -35.003 -33.561 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 18 1.389 -34.064 -33.391 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 18 2.221 -35.308 -33.618 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 19 -6.788 -35.198 -19.707 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 19 -6.701 -34.372 -19.232 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 19 -7.652 -35.528 -19.458 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 20 -6.374 -31.426 -29.901 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 20 -6.449 -31.547 -30.847 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 20 -6.341 -30.476 -29.782 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 21 -12.720 -32.637 -28.120 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 21 -12.568 -32.985 -27.241 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 21 -13.571 -32.993 -28.375 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 22 -3.272 -32.272 -32.898 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 22 -2.897 -33.016 -33.369 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 22 -3.268 -32.542 -31.980 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 23 -0.615 -43.279 -18.103 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 23 -1.022 -42.798 -18.823 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 23 -0.574 -44.184 -18.410 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 24 -0.485 -30.904 -17.476 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 24 -0.285 -30.480 -18.311 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 24 0.171 -30.561 -16.869 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 25 -0.537 -39.289 -22.245 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 25 0.105 -38.832 -22.788 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 25 -1.367 -39.176 -22.707 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 26 -5.561 -36.963 -32.006 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 26 -5.856 -36.137 -31.624 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 26 -6.264 -37.583 -31.810 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 27 -3.917 -35.776 -19.844 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 27 -4.818 -35.593 -20.112 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 27 -3.883 -35.517 -18.923 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 28 -2.730 -39.937 -23.990 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 28 -3.658 -40.169 -24.017 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 28 -2.279 -40.714 -24.320 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 29 -10.187 -35.609 -27.857 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 29 -9.660 -34.836 -28.058 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 29 -11.067 -35.384 -28.159 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 30 -8.760 -37.946 -28.281 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 30 -9.001 -37.021 -28.239 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 30 -9.500 -38.405 -27.885 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 31 -8.245 -33.797 -21.966 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 31 -7.882 -32.942 -22.199 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 31 -7.713 -34.089 -21.225 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 32 -10.076 -32.924 -28.736 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 32 -11.026 -32.819 -28.684 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 32 -9.725 -32.104 -28.391 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 33 -4.701 -37.698 -22.265 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 33 -5.127 -37.925 -21.439 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 33 -4.120 -38.436 -22.448 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 34 -2.498 -36.769 -33.191 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 34 -2.145 -37.149 -32.387 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 34 -3.447 -36.862 -33.105 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 35 -2.042 -33.146 -19.796 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 35 -2.644 -33.701 -20.291 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 35 -1.761 -32.479 -20.422 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 36 -1.632 -38.096 -30.965 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 36 -1.909 -38.824 -30.409 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 36 -0.705 -37.977 -30.759 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 37 -6.732 -34.389 -31.539 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 37 -7.549 -33.892 -31.486 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 37 -6.203 -33.914 -32.179 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 38 -9.394 -33.346 -31.557 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 38 -9.233 -32.546 -32.058 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 38 -9.591 -33.039 -30.672 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 39 -1.859 -42.148 -25.451 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 39 -2.656 -42.563 -25.780 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 39 -1.414 -42.839 -24.960 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 40 -1.765 -33.977 -34.372 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 40 -1.482 -34.771 -33.919 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 40 -1.025 -33.744 -34.933 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 41 -2.761 -38.525 -19.831 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 41 -2.016 -37.937 -19.951 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 41 -3.518 -37.943 -19.768 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 42 -2.306 -40.434 -17.932 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 42 -2.587 -39.725 -18.510 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 42 -1.363 -40.507 -18.083 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 43 -8.692 -31.161 -32.945 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 43 -7.759 -31.003 -32.801 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 43 -8.956 -30.486 -33.570 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 44 -0.042 -36.885 -16.040 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 44 -0.908 -36.990 -15.646 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 44 0.334 -36.126 -15.593 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 45 1.259 -38.628 -30.526 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 45 2.109 -38.207 -30.398 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 45 1.264 -39.368 -29.918 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 46 1.653 -40.575 -28.702 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 46 0.927 -41.054 -28.304 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 46 2.234 -40.369 -27.970 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 47 0.296 -40.084 -18.500 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 47 0.879 -40.818 -18.309 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 47 0.860 -39.312 -18.454 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 48 1.793 -42.181 -17.816 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 48 0.930 -42.560 -17.981 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 48 2.397 -42.920 -17.890 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 49 -0.238 -43.890 -24.241 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 49 0.695 -43.678 -24.275 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 49 -0.473 -43.788 -23.318 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 50 -0.209 -43.153 -21.465 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 50 -1.052 -42.885 -21.099 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 50 0.234 -42.331 -21.676 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 51 -10.979 -34.248 -21.226 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 51 -11.404 -33.439 -21.509 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 51 -10.074 -34.163 -21.528 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 52 -6.668 -32.849 -18.267 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 52 -6.483 -33.183 -17.389 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 52 -5.821 -32.540 -18.589 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 53 -4.323 -31.564 -19.023 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 53 -3.646 -32.196 -19.263 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 53 -4.001 -31.162 -18.215 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 54 -11.110 -31.392 -22.149 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 54 -11.975 -31.320 -21.745 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 54 -11.165 -30.845 -22.933 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 55 -12.021 -33.659 -25.613 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 55 -12.240 -34.575 -25.444 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 55 -11.197 -33.519 -25.147 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 56 -9.484 -33.189 -24.765 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 56 -9.271 -34.077 -25.052 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 56 -9.419 -33.223 -23.810 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 57 -6.047 -31.935 -32.700 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 57 -5.181 -31.569 -32.878 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 57 -6.294 -32.375 -33.513 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 58 -0.120 -33.621 -17.870 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 58 -0.902 -33.807 -18.390 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 58 -0.192 -32.692 -17.653 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 59 1.316 -35.003 -14.705 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 59 1.389 -34.064 -14.535 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 59 2.221 -35.308 -14.762 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 60 -2.095 -40.086 -15.265 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 60 -2.053 -40.309 -16.195 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 60 -1.246 -39.688 -15.075 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 61 0.110 -34.745 -12.156 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 61 -0.263 -35.571 -11.846 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 61 0.387 -34.928 -13.053 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 62 -1.765 -33.977 -15.516 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 62 -1.482 -34.771 -15.063 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 62 -1.025 -33.744 -16.077 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 63 0.800 -39.497 -15.645 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 63 0.527 -39.922 -16.458 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 63 0.840 -38.566 -15.862 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 64 1.944 -32.242 -4.744 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 64 1.922 -32.057 -3.805 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 64 2.634 -31.673 -5.085 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 65 1.259 -38.628 -11.670 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 65 2.109 -38.207 -11.542 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 65 1.264 -39.368 -11.062 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 66 1.921 -40.674 -13.455 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 66 1.400 -40.317 -14.174 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 66 1.888 -39.999 -12.777 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 67 0.270 -43.434 -14.904 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 67 0.367 -42.767 -15.584 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 67 0.130 -44.250 -15.386 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 68 0.662 -32.372 -11.164 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 68 0.468 -33.120 -11.729 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 68 0.623 -31.614 -11.748 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 69 1.807 -26.112 -39.774 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 69 1.118 -25.454 -39.869 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 69 1.822 -26.309 -38.837 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 70 2.233 -15.916 -37.439 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 70 2.184 -16.871 -37.476 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 70 1.407 -15.648 -37.037 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 71 -0.615 -24.423 -36.959 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 71 -1.022 -23.942 -37.679 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 71 -0.574 -25.328 -37.266 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 72 -2.858 -26.091 -38.738 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 72 -3.372 -26.217 -37.941 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 72 -3.013 -25.179 -38.983 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 73 -0.485 -12.048 -36.332 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 73 -0.285 -11.624 -37.167 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 73 0.171 -11.705 -35.725 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 74 1.778 -18.875 -37.496 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 74 0.926 -18.637 -37.863 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 74 2.368 -18.892 -38.249 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 75 -0.461 -27.043 -38.403 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 75 -1.377 -26.780 -38.491 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 75 -0.125 -27.046 -39.300 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 76 -3.622 -24.367 -34.866 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 76 -3.430 -25.298 -34.977 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 76 -2.765 -23.942 -34.876 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 77 -2.306 -21.578 -36.788 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 77 -2.587 -20.869 -37.366 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 77 -1.363 -21.651 -36.939 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 78 -3.200 -28.082 -35.058 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 78 -3.297 -29.034 -35.064 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 78 -3.522 -27.813 -34.197 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 79 1.507 -13.819 -39.534 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 79 1.020 -14.554 -39.905 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 79 2.056 -14.212 -38.856 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 80 -0.042 -18.029 -34.896 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 80 -0.908 -18.134 -34.502 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 80 0.334 -17.270 -34.449 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 81 0.296 -21.228 -37.356 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 81 0.879 -21.962 -37.165 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 81 0.860 -20.456 -37.310 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 82 1.793 -23.325 -36.672 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 82 0.930 -23.704 -36.837 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 82 2.397 -24.064 -36.746 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 83 -0.209 -24.297 -40.321 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 83 -1.052 -24.029 -39.955 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 83 0.234 -23.475 -40.532 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 84 0.595 -30.118 -38.799 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 84 -0.218 -29.793 -39.187 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 84 0.828 -30.878 -39.332 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 85 -3.296 -30.838 -35.419 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 85 -3.220 -31.264 -34.565 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 85 -2.403 -30.824 -35.761 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 86 -0.120 -14.765 -36.726 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 86 -0.902 -14.951 -37.246 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 86 -0.192 -13.836 -36.509 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 87 -4.820 -13.580 -25.907 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 87 -4.200 -14.257 -26.180 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 87 -5.028 -13.798 -24.999 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 88 -10.952 -26.696 -26.415 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 88 -10.909 -25.836 -26.833 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 88 -11.410 -27.248 -27.048 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 89 -9.176 -22.749 -26.437 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 89 -8.560 -23.275 -25.928 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 89 -9.762 -23.389 -26.841 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 90 -12.142 -27.778 -22.341 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 90 -12.361 -27.248 -23.107 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 90 -12.810 -27.551 -21.693 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 91 -4.773 -18.278 -28.797 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 91 -5.069 -18.600 -29.648 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 91 -5.097 -17.378 -28.755 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 92 -9.573 -20.102 -22.053 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 92 -10.313 -19.504 -21.950 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 92 -8.859 -19.548 -22.369 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 93 -11.165 -18.138 -21.266 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 93 -11.171 -17.259 -21.644 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 93 -12.019 -18.221 -20.841 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 94 -3.167 -15.064 -27.146 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 94 -2.742 -15.771 -27.631 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 94 -2.850 -14.263 -27.563 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 95 -2.008 -17.163 -28.637 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 95 -2.265 -17.853 -29.249 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 95 -1.937 -17.606 -27.792 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 96 -5.849 -21.635 -30.388 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 96 -6.561 -21.100 -30.739 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 96 -5.158 -21.579 -31.048 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 97 -5.795 -23.177 -33.349 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 97 -5.094 -23.155 -32.698 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 97 -5.493 -23.805 -34.005 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 98 -10.798 -20.795 -27.553 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 98 -11.128 -21.165 -28.372 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 98 -10.210 -21.465 -27.207 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 99 -9.431 -17.367 -24.872 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 99 -9.526 -17.945 -25.629 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 99 -8.702 -17.738 -24.376 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 100 -10.431 -22.026 -23.920 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 100 -9.866 -21.905 -24.683 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 100 -10.112 -21.389 -23.281 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 101 -9.551 -17.627 -19.203 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 101 -9.863 -16.845 -18.747 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 101 -10.201 -17.780 -19.889 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 102 -3.572 -22.263 -31.751 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 102 -2.993 -22.113 -31.004 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 102 -3.158 -21.792 -32.474 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 103 -5.846 -15.526 -28.316 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 103 -5.372 -15.231 -27.538 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 103 -6.409 -14.788 -28.549 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 104 -11.312 -15.555 -18.439 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 104 -11.304 -15.691 -19.387 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 104 -12.228 -15.673 -18.187 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 105 1.316 -16.147 -33.561 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 105 1.389 -15.208 -33.391 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 105 2.221 -16.452 -33.618 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 106 -10.847 -29.569 -24.110 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 106 -11.708 -29.656 -24.518 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 106 -10.869 -28.713 -23.683 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 107 -6.184 -29.847 -20.736 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 107 -5.764 -30.262 -19.983 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 107 -7.117 -30.025 -20.619 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 108 -2.095 -21.230 -34.121 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 108 -2.053 -21.453 -35.051 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 108 -1.246 -20.832 -33.931 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 109 -6.522 -27.354 -33.451 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 109 -6.776 -27.335 -32.528 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 109 -6.779 -28.226 -33.752 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 110 -10.756 -24.603 -23.015 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 110 -11.398 -24.644 -22.306 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 110 -10.719 -23.677 -23.253 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 111 -10.759 -24.382 -28.103 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 111 -11.652 -24.723 -28.162 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 111 -10.308 -24.759 -28.859 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 112 -6.121 -23.791 -17.798 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 112 -6.684 -24.495 -17.478 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 112 -5.295 -23.911 -17.331 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 113 -8.177 -26.955 -27.017 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 113 -9.088 -26.898 -26.728 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 113 -7.672 -27.015 -26.206 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 114 -11.855 -28.031 -28.712 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 114 -12.172 -28.933 -28.747 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 114 -11.074 -28.029 -29.264 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 115 -8.231 -25.779 -22.716 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 115 -9.066 -25.325 -22.606 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 115 -7.707 -25.503 -21.964 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 116 -7.687 -19.566 -31.031 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 116 -8.431 -20.073 -31.354 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 116 -7.821 -19.517 -30.085 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 117 -3.789 -26.752 -32.832 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 117 -4.727 -26.640 -32.983 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 117 -3.492 -25.895 -32.526 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 118 -6.167 -19.382 -19.794 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 118 -6.513 -19.763 -18.988 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 118 -6.367 -18.448 -19.723 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 119 -12.562 -20.271 -25.262 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 119 -11.817 -20.273 -25.863 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 119 -12.484 -21.095 -24.780 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 120 -5.561 -18.107 -32.006 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 120 -5.856 -17.281 -31.624 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 120 -6.264 -18.727 -31.810 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 121 -8.537 -22.293 -17.734 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 121 -8.833 -22.459 -18.629 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 121 -7.606 -22.513 -17.744 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 122 0.110 -15.889 -31.012 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 122 -0.263 -16.715 -30.702 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 122 0.387 -16.072 -31.909 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 123 -8.760 -19.090 -28.281 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 123 -9.001 -18.165 -28.239 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 123 -9.500 -19.549 -27.885 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 124 -8.245 -14.941 -21.966 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 124 -7.882 -14.086 -22.199 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 124 -7.713 -15.233 -21.225 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 125 -2.498 -17.913 -33.191 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 125 -2.145 -18.293 -32.387 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 125 -3.447 -18.006 -33.105 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 126 2.006 -13.433 -32.990 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 126 2.749 -12.847 -33.130 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 126 1.311 -12.865 -32.657 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 127 -5.185 -27.316 -21.499 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 127 -4.487 -27.242 -20.849 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 127 -5.566 -28.180 -21.344 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 128 -7.201 -25.936 -29.567 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 128 -6.389 -25.432 -29.521 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 128 -7.446 -26.081 -28.653 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 129 -13.277 -29.918 -25.092 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 129 -13.506 -29.859 -26.019 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 129 -13.720 -30.710 -24.785 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 130 -10.461 -14.446 -15.981 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 130 -9.693 -14.905 -15.640 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 130 -10.482 -14.672 -16.911 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 131 -1.765 -15.121 -34.372 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 131 -1.482 -15.915 -33.919 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 131 -1.025 -14.888 -34.933 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 132 -8.496 -19.585 -17.214 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 132 -8.824 -19.314 -18.072 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 132 -8.344 -20.526 -17.302 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 133 -10.372 -23.346 -19.853 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 133 -10.990 -22.671 -19.572 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 133 -10.028 -23.025 -20.686 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 134 -5.352 -20.875 -16.575 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 134 -4.399 -20.791 -16.603 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 134 -5.512 -21.586 -15.956 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 135 -10.032 -25.991 -18.770 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 135 -9.882 -26.720 -19.373 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 135 -10.030 -25.214 -19.329 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 136 -9.620 -27.621 -21.278 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 136 -9.084 -27.170 -21.930 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 136 -10.472 -27.729 -21.700 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 137 -8.814 -30.165 -20.846 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 137 -8.912 -29.218 -20.952 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 137 -9.557 -30.537 -21.322 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 138 -7.550 -25.843 -17.283 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 138 -7.786 -26.063 -16.381 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 138 -8.333 -26.050 -17.792 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 139 -4.834 -26.716 -18.207 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 139 -5.782 -26.684 -18.075 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 139 -4.522 -27.341 -17.553 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 140 -3.200 -28.082 -16.202 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 140 -3.297 -29.034 -16.208 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 140 -3.522 -27.813 -15.341 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 141 -8.592 -30.871 -18.175 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 141 -7.880 -31.511 -18.189 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 141 -8.693 -30.604 -19.089 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 142 -1.318 -13.296 -28.028 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 142 -0.665 -13.643 -28.636 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 142 -0.807 -12.807 -27.382 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 143 -10.979 -15.392 -21.226 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 143 -11.404 -14.583 -21.509 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 143 -10.074 -15.307 -21.528 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 144 -11.110 -12.536 -22.149 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 144 -11.975 -12.464 -21.745 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 144 -11.165 -11.989 -22.933 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 145 -6.399 -12.648 -22.973 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 145 -6.856 -12.119 -23.627 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 145 -6.236 -12.045 -22.248 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 146 -9.484 -14.333 -24.765 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 146 -9.271 -15.221 -25.052 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 146 -9.419 -14.367 -23.810 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 147 -9.069 -30.108 -27.985 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 147 -8.195 -29.720 -28.015 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 147 -9.205 -30.323 -27.062 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 148 -7.925 -28.028 -31.095 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 148 -7.747 -28.674 -30.412 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 148 -7.979 -27.194 -30.628 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 149 0.662 -13.516 -30.020 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 149 0.468 -14.264 -30.585 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 149 0.623 -12.758 -30.604 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 150 -3.296 -30.838 -16.563 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 150 -3.220 -31.264 -15.709 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 150 -2.403 -30.824 -16.905 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 151 -1.931 -18.685 -7.263 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 151 -2.372 -19.405 -6.813 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 151 -1.944 -17.964 -6.633 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 152 1.415 -27.590 -4.298 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 152 1.464 -26.980 -3.562 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 152 1.841 -27.129 -5.021 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 153 -3.230 -26.565 -9.158 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 153 -2.584 -26.894 -8.533 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 153 -2.720 -26.047 -9.781 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 154 1.807 -26.112 -2.062 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 154 1.118 -25.454 -2.157 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 154 1.822 -26.309 -1.125 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 155 -4.773 -18.278 -9.941 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 155 -5.069 -18.600 -10.792 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 155 -5.097 -17.378 -9.899 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 156 -1.466 -27.274 -7.177 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 156 -1.681 -28.040 -6.645 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 156 -0.810 -26.802 -6.664 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 157 -1.419 -16.845 -4.915 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 157 -2.361 -16.787 -4.754 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 157 -1.143 -15.939 -5.052 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 158 -3.167 -15.064 -8.290 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 158 -2.742 -15.771 -8.775 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 158 -2.850 -14.263 -8.707 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 159 -2.008 -17.163 -9.781 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 159 -2.265 -17.853 -10.393 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 159 -1.937 -17.606 -8.936 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 160 -0.322 -18.597 -1.304 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 160 -0.182 -19.188 -2.043 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 160 -0.154 -17.724 -1.660 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 161 -5.849 -21.635 -11.532 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 161 -6.561 -21.100 -11.883 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 161 -5.158 -21.579 -12.192 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 162 -5.795 -23.177 -14.493 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 162 -5.094 -23.155 -13.842 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 162 -5.493 -23.805 -15.149 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 163 1.520 -22.257 -3.238 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 163 0.868 -21.562 -3.149 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 163 1.985 -22.047 -4.048 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 164 -2.443 -21.425 -10.580 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 164 -3.175 -21.197 -10.007 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 164 -1.996 -22.139 -10.125 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 165 -3.572 -22.263 -12.895 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 165 -2.993 -22.113 -12.148 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 165 -3.158 -21.792 -13.618 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 166 0.126 -30.513 -13.082 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 166 -0.773 -30.374 -12.787 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 166 0.378 -29.682 -13.484 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 167 -3.272 -13.416 -14.042 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 167 -2.897 -14.160 -14.513 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 167 -3.268 -13.686 -13.124 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 168 -3.603 -13.490 -11.293 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 168 -4.538 -13.390 -11.114 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 168 -3.323 -14.199 -10.715 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 169 -6.522 -27.354 -14.595 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 169 -6.776 -27.335 -13.672 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 169 -6.779 -28.226 -14.896 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 170 -5.223 -23.966 -10.430 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 170 -5.632 -23.151 -10.722 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 170 -4.503 -24.106 -11.045 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 171 -4.219 -24.520 -7.616 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 171 -4.414 -23.915 -8.331 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 171 -4.037 -25.354 -8.051 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 172 -0.485 -12.048 1.380 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 172 -0.285 -11.624 0.545 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 172 0.171 -11.705 1.987 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 173 -7.687 -19.566 -12.175 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 173 -8.431 -20.073 -12.498 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 173 -7.821 -19.517 -11.229 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 174 -3.789 -26.752 -13.976 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 174 -4.727 -26.640 -14.127 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 174 -3.492 -25.895 -13.670 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 175 -3.071 -24.885 -12.315 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 175 -2.179 -25.022 -11.996 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 175 -3.014 -24.094 -12.852 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 176 -5.561 -18.107 -13.150 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 176 -5.856 -17.281 -12.768 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 176 -6.264 -18.727 -12.954 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 177 1.778 -18.875 0.216 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 177 0.926 -18.637 -0.151 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 177 2.368 -18.892 -0.537 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 178 -2.042 -14.290 -0.940 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 178 -2.644 -14.845 -1.435 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 178 -1.761 -13.623 -1.566 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 179 -1.632 -19.240 -12.109 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 179 -1.909 -19.968 -11.553 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 179 -0.705 -19.121 -11.903 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 180 -8.407 -16.801 -15.888 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 180 -8.168 -17.549 -16.436 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 180 -8.676 -17.189 -15.056 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 181 -6.732 -15.533 -12.683 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 181 -7.549 -15.036 -12.630 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 181 -6.203 -15.058 -13.323 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 182 -1.859 -23.292 -6.595 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 182 -2.656 -23.707 -6.924 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 182 -1.414 -23.983 -6.104 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 183 -0.772 -14.036 -4.973 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 183 -0.928 -13.358 -5.630 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 183 0.160 -13.964 -4.770 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 184 -6.369 -14.938 -15.750 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 184 -7.013 -15.569 -15.428 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 184 -5.607 -15.469 -15.982 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 185 -5.458 -18.164 -15.923 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 185 -5.726 -17.984 -15.022 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 185 -5.664 -19.090 -16.054 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 186 -8.590 -22.996 -15.090 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 186 -8.770 -23.150 -16.018 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 186 -7.639 -22.888 -15.046 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 187 -0.042 -18.029 2.816 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 187 -0.908 -18.134 3.210 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 187 0.334 -17.270 3.263 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 188 1.412 -18.934 -4.898 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 188 2.246 -19.312 -5.179 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 188 1.524 -17.991 -5.017 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 189 -0.101 -16.056 -2.591 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 189 -0.749 -15.731 -1.966 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 189 -0.619 -16.496 -3.266 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 190 -0.482 -27.170 -15.787 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 190 0.128 -27.542 -15.150 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 190 -1.319 -27.592 -15.591 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 191 -0.850 -25.615 -10.821 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 191 -0.570 -26.522 -10.696 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 191 -0.091 -25.181 -11.210 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 192 -0.238 -25.034 -5.385 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 192 0.695 -24.822 -5.419 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 192 -0.473 -24.932 -4.462 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 193 -0.209 -24.297 -2.609 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 193 -1.052 -24.029 -2.243 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 193 0.234 -23.475 -2.820 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 194 -0.236 -28.352 -10.772 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 194 -0.054 -28.801 -9.947 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 194 -0.836 -28.937 -11.236 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 195 -1.318 -13.296 -9.172 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 195 -0.665 -13.643 -9.780 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 195 -0.807 -12.807 -8.526 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 196 -1.467 -12.200 -2.877 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 196 -1.649 -11.284 -3.088 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 196 -1.291 -12.610 -3.724 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 197 -0.833 -30.562 -6.652 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 197 -0.229 -30.014 -7.153 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 197 -1.702 -30.242 -6.892 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 198 0.894 -29.423 -8.318 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 198 1.506 -29.937 -8.845 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 198 1.277 -28.545 -8.295 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 199 -2.159 -30.052 -11.787 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 199 -2.862 -29.438 -11.997 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 199 -2.604 -30.890 -11.656 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 200 -6.047 -13.079 -13.844 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 200 -5.181 -12.713 -14.022 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 200 -6.294 -13.519 -14.657 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 201 -0.120 -14.765 0.986 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 201 -0.902 -14.951 0.466 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 201 -0.192 -13.836 1.203 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 202 1.316 -16.147 4.151 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 202 1.389 -15.208 4.321 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 202 2.221 -16.452 4.094 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 203 2.006 -13.433 4.722 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 203 2.749 -12.847 4.582 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 203 1.311 -12.865 5.055 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 204 2.074 -11.461 -34.967 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 204 2.424 -12.115 -35.573 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 204 2.221 -10.624 -35.407 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 205 1.594 -9.352 -36.618 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 205 0.677 -9.081 -36.654 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 205 1.717 -9.887 -37.402 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 206 0.595 -11.262 -38.799 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 206 -0.218 -10.937 -39.187 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 206 0.828 -12.022 -39.332 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 207 -4.107 -5.941 -23.687 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 207 -3.964 -6.888 -23.667 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 207 -4.213 -5.734 -24.616 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 208 -1.466 -8.418 -26.033 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 208 -1.681 -9.184 -25.501 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 208 -0.810 -7.946 -25.520 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 209 -8.116 -11.616 -24.888 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 209 -8.233 -12.565 -24.942 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 209 -8.971 -11.284 -24.615 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 210 -0.322 0.259 -20.160 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 210 -0.182 -0.332 -20.899 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 210 -0.154 1.132 -20.516 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 211 1.520 -3.401 -22.094 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 211 0.868 -2.706 -22.005 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 211 1.985 -3.191 -22.904 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 212 -2.546 -4.395 -20.368 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 212 -2.466 -3.632 -19.796 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 212 -3.147 -4.116 -21.059 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 213 0.126 -11.657 -31.938 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 213 -0.773 -11.518 -31.643 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 213 0.378 -10.826 -32.340 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 214 -6.184 -10.991 -20.736 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 214 -5.764 -11.406 -19.983 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 214 -7.117 -11.169 -20.619 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 215 -4.955 -4.026 -21.801 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 215 -4.631 -4.657 -22.444 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 215 -5.395 -4.561 -21.140 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 216 -3.772 -8.864 -23.753 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 216 -4.449 -8.733 -23.089 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 216 -4.258 -9.019 -24.563 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 217 -0.537 -1.577 -22.245 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 217 0.105 -1.120 -22.788 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 217 -1.367 -1.464 -22.707 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 218 1.778 -0.019 -18.640 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 218 0.926 0.219 -19.007 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 218 2.368 -0.036 -19.393 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 219 -2.730 -2.225 -23.990 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 219 -3.658 -2.457 -24.017 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 219 -2.279 -3.002 -24.320 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 220 -5.185 -8.460 -21.499 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 220 -4.487 -8.386 -20.849 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 220 -5.566 -9.324 -21.344 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 221 -6.665 -6.094 -20.382 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 221 -6.546 -5.520 -19.625 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 221 -6.010 -6.782 -20.267 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 222 -1.859 -4.436 -25.451 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 222 -2.656 -4.851 -25.780 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 222 -1.414 -5.127 -24.960 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 223 -2.761 -0.813 -19.831 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 223 -2.016 -0.225 -19.951 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 223 -3.518 -0.231 -19.768 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 224 -3.622 -5.511 -16.010 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 224 -3.430 -6.442 -16.121 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 224 -2.765 -5.086 -16.020 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 225 -2.306 -2.722 -17.932 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 225 -2.587 -2.013 -18.510 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 225 -1.363 -2.795 -18.083 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 226 -8.814 -11.309 -20.846 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 226 -8.912 -10.362 -20.952 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 226 -9.557 -11.681 -21.322 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 227 -4.834 -7.860 -18.207 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 227 -5.782 -7.828 -18.075 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 227 -4.522 -8.485 -17.553 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 228 -3.200 -9.226 -16.202 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 228 -3.297 -10.178 -16.208 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 228 -3.522 -8.957 -15.341 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 229 -8.592 -12.015 -18.175 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 229 -7.880 -12.655 -18.189 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 229 -8.693 -11.748 -19.089 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 230 -8.239 -10.332 -16.121 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 230 -8.370 -10.808 -16.942 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 230 -8.838 -9.588 -16.177 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 231 1.412 -0.078 -23.754 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 231 2.246 -0.456 -24.035 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 231 1.524 0.865 -23.873 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 232 0.296 -2.372 -18.500 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 232 0.879 -3.106 -18.309 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 232 0.860 -1.600 -18.454 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 233 -0.238 -6.178 -24.241 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 233 0.695 -5.966 -24.275 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 233 -0.473 -6.076 -23.318 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 234 -0.236 -9.496 -29.628 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 234 -0.054 -9.945 -28.803 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 234 -0.836 -10.081 -30.092 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 235 1.630 -9.429 -33.100 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 235 2.043 -10.150 -33.576 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 235 2.312 -8.759 -33.042 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 236 -0.833 -11.706 -25.508 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 236 -0.229 -11.158 -26.009 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 236 -1.702 -11.386 -25.748 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 237 -3.512 -11.222 -26.336 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 237 -3.436 -11.127 -27.285 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 237 -3.788 -12.130 -26.207 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 238 -2.159 -11.196 -30.643 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 238 -2.862 -10.582 -30.853 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 238 -2.604 -12.034 -30.512 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 239 1.415 -8.734 -4.298 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 239 1.464 -8.124 -3.562 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 239 1.841 -8.273 -5.021 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 240 1.807 -7.256 -2.062 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 240 1.118 -6.598 -2.157 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 240 1.822 -7.453 -1.125 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 241 -1.119 -9.703 -3.498 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 241 -1.855 -9.092 -3.536 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 241 -0.435 -9.288 -4.024 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 242 -2.095 -2.374 -15.265 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 242 -2.053 -2.597 -16.195 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 242 -1.246 -1.976 -15.075 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 243 -3.789 -7.896 -13.976 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 243 -4.727 -7.784 -14.127 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 243 -3.492 -7.039 -13.670 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 244 1.814 -5.819 -12.621 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 244 1.260 -6.215 -13.293 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 244 1.915 -4.909 -12.898 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 245 -0.461 -8.187 -0.691 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 245 -1.377 -7.924 -0.779 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 245 -0.125 -8.190 -1.588 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 246 0.800 -1.785 -15.645 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 246 0.527 -2.210 -16.458 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 246 0.840 -0.854 -15.862 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 247 0.270 -5.722 -14.904 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 247 0.367 -5.055 -15.584 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 247 0.130 -6.538 -15.386 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 248 -0.482 -8.314 -15.787 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 248 0.128 -8.686 -15.150 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 248 -1.319 -8.736 -15.591 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 249 2.074 -11.461 2.745 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 249 2.424 -12.115 2.139 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 249 2.221 -10.624 2.305 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 250 -0.236 -9.496 -10.772 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 250 -0.054 -9.945 -9.947 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 250 -0.836 -10.081 -11.236 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 251 1.594 -9.352 1.094 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 251 0.677 -9.081 1.058 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 251 1.717 -9.887 0.310 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 252 1.630 -9.429 -14.244 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 252 2.043 -10.150 -14.720 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 252 2.312 -8.759 -14.186 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 253 0.595 -11.262 -1.087 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 253 -0.218 -10.937 -1.475 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 253 0.828 -12.022 -1.620 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 254 -0.833 -11.706 -6.652 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 254 -0.229 -11.158 -7.153 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 254 -1.702 -11.386 -6.892 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 255 0.894 -10.567 -8.318 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 255 1.506 -11.081 -8.845 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 255 1.277 -9.689 -8.295 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 256 -2.159 -11.196 -11.787 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 256 -2.862 -10.582 -11.997 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 256 -2.604 -12.034 -11.656 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 257 1.630 -9.429 4.612 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 257 2.043 -10.150 4.136 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 257 2.312 -8.759 4.670 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 258 9.305 -36.483 -38.059 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 258 8.993 -35.701 -37.603 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 258 8.655 -36.636 -38.745 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 259 7.544 -34.411 -37.295 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 259 7.552 -34.547 -38.243 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 259 6.628 -34.529 -37.043 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 260 21.089 -34.772 -37.439 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 260 21.040 -35.727 -37.476 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 260 20.263 -34.504 -37.037 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 261 12.068 -35.198 -38.563 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 261 12.155 -34.372 -38.088 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 261 11.204 -35.528 -38.314 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 262 5.390 -36.895 -38.962 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 262 5.607 -37.256 -38.102 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 262 4.535 -37.269 -39.172 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 263 18.371 -30.904 -36.332 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 263 18.571 -30.480 -37.167 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 263 19.027 -30.561 -35.725 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 264 5.969 -38.430 -36.724 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 264 6.702 -38.176 -36.163 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 264 5.189 -38.226 -36.209 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 265 10.611 -33.797 -40.822 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 265 10.974 -32.942 -41.055 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 265 11.143 -34.089 -40.081 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 266 4.587 -34.108 -40.810 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 266 4.804 -35.040 -40.841 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 266 4.834 -33.834 -39.926 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 267 14.972 -34.922 -36.108 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 267 14.621 -35.778 -35.865 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 267 15.698 -34.779 -35.501 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 268 3.705 -38.411 -35.503 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 268 3.849 -39.313 -35.789 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 268 2.932 -38.125 -35.991 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 269 10.360 -38.441 -36.070 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 269 10.032 -38.170 -36.928 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 269 10.512 -39.382 -36.158 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 270 13.504 -39.731 -35.431 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 270 14.457 -39.647 -35.459 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 270 13.344 -40.442 -34.812 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 271 20.800 -32.242 -42.456 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 271 20.778 -32.057 -41.517 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 271 21.490 -31.673 -42.797 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 272 20.363 -32.675 -39.534 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 272 19.876 -33.410 -39.905 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 272 20.912 -33.068 -38.856 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 273 7.877 -34.248 -40.082 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 273 7.452 -33.439 -40.365 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 273 8.782 -34.163 -40.384 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 274 12.188 -32.849 -37.123 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 274 12.373 -33.183 -36.245 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 274 13.035 -32.540 -37.445 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 275 14.533 -31.564 -37.879 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 275 15.210 -32.196 -38.119 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 275 14.855 -31.162 -37.071 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 276 5.279 -30.992 -40.035 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 276 4.559 -30.552 -40.486 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 276 4.913 -31.243 -39.186 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 277 7.746 -31.392 -41.005 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 277 6.881 -31.320 -40.601 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 277 7.691 -30.845 -41.789 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 278 17.389 -31.056 -40.589 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 278 17.207 -30.140 -40.800 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 278 17.565 -31.466 -41.436 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 279 18.736 -33.621 -36.726 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 279 17.954 -33.807 -37.246 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 279 18.664 -32.692 -36.509 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 280 16.925 -37.541 -26.119 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 280 16.484 -38.261 -25.669 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 280 16.912 -36.820 -25.489 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 281 3.121 -42.755 -28.900 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 281 2.673 -41.909 -28.918 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 281 2.560 -43.335 -29.415 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 282 3.831 -40.593 -26.774 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 282 4.045 -41.363 -26.247 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 282 4.569 -40.504 -27.377 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 283 14.749 -43.653 -23.687 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 283 14.892 -44.600 -23.667 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 283 14.643 -43.446 -24.616 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 284 15.626 -45.421 -28.014 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 284 16.272 -45.750 -27.389 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 284 16.136 -44.903 -28.637 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 285 4.524 -43.155 -25.653 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 285 5.178 -43.705 -25.221 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 285 4.548 -43.429 -26.569 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 286 9.680 -41.605 -26.437 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 286 10.296 -42.131 -25.928 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 286 9.094 -42.245 -26.841 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 287 6.308 -44.742 -24.388 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 287 6.921 -44.109 -24.015 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 287 6.820 -45.214 -25.045 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 288 3.812 -37.323 -30.484 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 288 3.540 -37.094 -31.373 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 288 3.857 -36.485 -30.024 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 289 16.848 -36.019 -28.637 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 289 16.591 -36.709 -29.249 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 289 16.919 -36.462 -27.792 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 290 13.061 -42.033 -33.349 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 290 13.762 -42.011 -32.698 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 290 13.363 -42.661 -34.005 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 291 16.413 -40.281 -29.436 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 291 15.681 -40.053 -28.863 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 291 16.860 -40.995 -28.981 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 292 16.310 -42.107 -20.368 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 292 16.390 -41.344 -19.796 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 292 15.709 -41.828 -21.059 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 293 8.425 -40.882 -23.920 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 293 8.990 -40.761 -24.683 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 293 8.744 -40.245 -23.281 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 294 15.284 -41.119 -31.751 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 294 15.863 -40.969 -31.004 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 294 15.698 -40.648 -32.474 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 295 7.048 -40.581 -29.964 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 295 6.756 -39.813 -30.455 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 295 6.374 -41.241 -30.127 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 296 8.100 -43.459 -23.015 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 296 7.458 -43.500 -22.306 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 296 8.137 -42.533 -23.253 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 297 8.097 -43.238 -28.103 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 297 7.204 -43.579 -28.162 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 297 8.548 -43.615 -28.859 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 298 13.633 -42.822 -29.286 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 298 13.224 -42.007 -29.578 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 298 14.353 -42.962 -29.901 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 299 12.735 -42.647 -17.798 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 299 12.172 -43.351 -17.478 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 299 13.561 -42.767 -17.331 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 300 14.637 -43.376 -26.472 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 300 14.442 -42.771 -27.187 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 300 14.819 -44.210 -26.907 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 301 5.850 -43.139 -21.148 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 301 5.812 -42.739 -20.280 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 301 5.359 -43.956 -21.058 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 302 13.901 -41.738 -21.801 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 302 14.225 -42.369 -22.444 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 302 13.461 -42.273 -21.140 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 303 10.679 -45.811 -27.017 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 303 9.768 -45.754 -26.728 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 303 11.184 -45.871 -26.206 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 304 5.507 -44.182 -28.190 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 304 4.618 -44.082 -28.530 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 304 5.803 -45.024 -28.536 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 305 9.160 -44.182 -30.534 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 305 10.092 -44.053 -30.356 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 305 8.945 -43.512 -31.183 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 306 7.834 -42.987 -32.967 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 306 7.292 -43.367 -33.658 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 306 8.668 -42.793 -33.396 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 307 11.999 -43.023 -25.130 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 307 12.563 -43.570 -25.677 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 307 11.851 -43.545 -24.341 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 308 10.625 -44.635 -22.716 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 308 9.790 -44.181 -22.606 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 308 11.149 -44.359 -21.964 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 309 18.319 -39.289 -22.245 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 309 18.961 -38.832 -22.788 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 309 17.489 -39.176 -22.707 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 310 15.785 -43.741 -31.171 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 310 16.677 -43.878 -30.852 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 310 15.842 -42.950 -31.708 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 311 20.634 -37.731 -18.640 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 311 19.782 -37.493 -19.007 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 311 21.224 -37.748 -19.393 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 312 18.966 -34.745 -31.012 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 312 18.593 -35.571 -30.702 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 312 19.243 -34.928 -31.909 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 313 16.126 -39.937 -23.990 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 313 15.198 -40.169 -24.017 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 313 16.577 -40.714 -24.320 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 314 4.424 -40.747 -33.270 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 314 5.040 -40.120 -32.891 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 314 3.562 -40.431 -32.999 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 315 16.358 -36.769 -33.191 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 315 16.711 -37.149 -32.387 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 315 15.409 -36.862 -33.105 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 316 20.862 -32.289 -32.990 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 316 21.605 -31.703 -33.130 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 316 20.167 -31.721 -32.657 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 317 4.936 -45.913 -20.389 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 317 4.043 -45.574 -20.456 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 317 4.837 -46.768 -19.971 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 318 17.224 -38.096 -30.965 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 318 16.947 -38.824 -30.409 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 318 18.151 -37.977 -30.759 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 319 5.839 -38.834 -31.778 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 319 5.153 -38.482 -31.211 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 319 6.362 -38.071 -32.024 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 320 11.655 -44.792 -29.567 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 320 12.467 -44.288 -29.521 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 320 11.410 -44.937 -28.653 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 321 12.191 -43.806 -20.382 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 321 12.310 -43.232 -19.625 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 321 12.846 -44.494 -20.267 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 322 16.997 -42.148 -25.451 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 322 16.200 -42.563 -25.780 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 322 17.442 -42.839 -24.960 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 323 17.091 -33.977 -34.372 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 323 17.374 -34.771 -33.919 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 323 17.831 -33.744 -34.933 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 324 8.046 -38.067 -34.515 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 324 8.110 -38.861 -33.984 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 324 8.699 -38.186 -35.204 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 325 13.398 -37.020 -34.779 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 325 13.130 -36.840 -33.878 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 325 13.192 -37.946 -34.910 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 326 9.195 -40.095 -32.209 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 326 8.736 -40.579 -31.523 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 326 9.450 -40.763 -32.845 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 327 8.484 -42.202 -19.853 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 327 7.866 -41.527 -19.572 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 327 8.828 -41.881 -20.686 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 328 10.266 -41.852 -33.946 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 328 10.086 -42.006 -34.874 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 328 11.217 -41.744 -33.902 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 329 13.504 -39.731 -16.575 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 329 14.457 -39.647 -16.603 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 329 13.344 -40.442 -15.956 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 330 8.824 -44.847 -18.770 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 330 8.974 -45.576 -19.373 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 330 8.826 -44.070 -19.329 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 331 15.234 -43.223 -16.010 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 331 15.426 -44.154 -16.121 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 331 16.091 -42.798 -16.020 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 332 16.550 -40.434 -17.932 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 332 16.269 -39.725 -18.510 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 332 17.493 -40.507 -18.083 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 333 7.302 -43.649 -16.859 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 333 6.535 -44.181 -17.069 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 333 7.981 -43.959 -17.458 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 334 11.306 -44.699 -17.283 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 334 11.070 -44.919 -16.381 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 334 10.523 -44.906 -17.792 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 335 5.483 -45.728 -17.154 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 335 5.694 -46.435 -17.765 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 335 5.371 -46.166 -16.310 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 336 3.732 -36.525 -33.462 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 336 4.646 -36.446 -33.189 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 336 3.739 -37.212 -34.129 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 337 20.800 -32.242 -23.600 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 337 20.778 -32.057 -22.661 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 337 21.490 -31.673 -23.941 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 338 20.268 -37.790 -23.754 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 338 21.102 -38.168 -24.035 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 338 20.380 -36.847 -23.873 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 339 18.296 -42.054 -28.139 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 339 18.146 -42.999 -28.159 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 339 17.942 -41.773 -27.295 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 340 19.152 -40.084 -18.500 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 340 19.735 -40.818 -18.309 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 340 19.716 -39.312 -18.454 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 341 20.649 -42.181 -17.816 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 341 19.786 -42.560 -17.981 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 341 21.253 -42.920 -17.890 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 342 2.929 -44.705 -17.988 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 342 3.848 -44.827 -17.752 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 342 2.479 -45.455 -17.599 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 343 2.454 -43.394 -24.028 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 343 2.946 -43.615 -24.818 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 343 2.816 -42.553 -23.747 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 344 19.518 -32.372 -30.020 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 344 19.324 -33.120 -30.585 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 344 19.479 -31.614 -30.604 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 345 14.286 -39.735 -8.984 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 345 14.375 -38.791 -9.116 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 345 13.647 -40.010 -9.642 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 346 13.219 -40.480 -5.565 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 346 13.181 -41.126 -4.860 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 346 12.896 -40.946 -6.336 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 347 6.511 -36.415 -5.437 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 347 6.141 -37.217 -5.806 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 347 7.452 -36.584 -5.390 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 348 11.608 -38.047 -5.159 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 348 11.912 -38.733 -5.753 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 348 12.330 -37.929 -4.541 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 349 9.680 -41.605 -7.581 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 349 10.296 -42.131 -7.072 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 349 9.094 -42.245 -7.985 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 350 9.283 -38.958 -3.197 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 350 8.543 -38.360 -3.094 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 350 9.997 -38.404 -3.513 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 351 7.691 -36.994 -2.410 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 351 7.685 -36.115 -2.788 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 351 6.837 -37.077 -1.985 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 352 3.812 -37.323 -11.628 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 352 3.540 -37.094 -12.517 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 352 3.857 -36.485 -11.168 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 353 18.534 -37.453 -1.304 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 353 18.674 -38.044 -2.043 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 353 18.702 -36.580 -1.660 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 354 13.007 -40.491 -11.532 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 354 12.295 -39.956 -11.883 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 354 13.698 -40.435 -12.192 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 355 13.061 -42.033 -14.493 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 355 13.762 -42.011 -13.842 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 355 13.363 -42.661 -15.149 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 356 20.376 -41.113 -3.238 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 356 19.724 -40.418 -3.149 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 356 20.841 -40.903 -4.048 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 357 16.413 -40.281 -10.580 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 357 15.681 -40.053 -10.007 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 357 16.860 -40.995 -10.125 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 358 16.310 -42.107 -1.512 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 358 16.390 -41.344 -0.940 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 358 15.709 -41.828 -2.203 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 359 8.058 -39.651 -8.697 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 359 7.728 -40.021 -9.516 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 359 8.646 -40.321 -8.351 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 360 9.425 -36.223 -6.016 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 360 9.330 -36.801 -6.773 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 360 10.154 -36.594 -5.520 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 361 9.305 -36.483 -0.347 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 361 8.993 -35.701 0.109 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 361 8.655 -36.636 -1.033 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 362 15.284 -41.119 -12.895 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 362 15.863 -40.969 -12.148 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 362 15.698 -40.648 -13.618 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 363 7.048 -40.581 -11.108 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 363 6.756 -39.813 -11.599 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 363 6.374 -41.241 -11.271 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 364 2.892 -35.438 -5.409 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 364 3.838 -35.582 -5.428 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 364 2.779 -34.654 -4.872 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 365 21.089 -34.772 0.273 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 365 21.040 -35.727 0.236 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 365 20.263 -34.504 0.675 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 366 12.068 -35.198 -0.851 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 366 12.155 -34.372 -0.376 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 366 11.204 -35.528 -0.602 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 367 16.761 -40.086 -15.265 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 367 16.803 -40.309 -16.195 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 367 17.610 -39.688 -15.075 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 368 13.633 -42.822 -10.430 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 368 13.224 -42.007 -10.722 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 368 14.353 -42.962 -11.045 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 369 9.216 -45.765 -15.494 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 369 8.785 -46.210 -14.764 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 369 8.498 -45.393 -16.006 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 370 13.901 -41.738 -2.945 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 370 14.225 -42.369 -3.588 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 370 13.461 -42.273 -2.284 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 371 7.834 -42.987 -14.111 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 371 7.292 -43.367 -14.802 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 371 8.668 -42.793 -14.540 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 372 18.319 -39.289 -3.389 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 372 18.961 -38.832 -3.932 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 372 17.489 -39.176 -3.851 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 373 12.689 -38.238 -0.938 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 373 12.343 -38.619 -0.132 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 373 12.489 -37.304 -0.867 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 374 15.785 -43.741 -12.315 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 374 16.677 -43.878 -11.996 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 374 15.842 -42.950 -12.852 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 375 6.294 -39.127 -6.406 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 375 7.039 -39.129 -7.007 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 375 6.372 -39.951 -5.924 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 376 20.670 -43.531 -12.621 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 376 20.116 -43.927 -13.293 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 376 20.771 -42.621 -12.898 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 377 20.634 -37.731 0.216 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 377 19.782 -37.493 -0.151 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 377 21.224 -37.748 -0.537 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 378 16.126 -39.937 -5.134 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 378 15.198 -40.169 -5.161 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 378 16.577 -40.714 -5.464 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 379 4.424 -40.747 -14.414 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 379 5.040 -40.120 -14.035 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 379 3.562 -40.431 -14.143 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 380 10.611 -33.797 -3.110 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 380 10.974 -32.942 -3.343 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 380 11.143 -34.089 -2.369 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 381 4.587 -34.108 -3.098 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 381 4.804 -35.040 -3.129 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 381 4.834 -33.834 -2.214 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 382 5.839 -38.834 -12.922 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 382 5.153 -38.482 -12.355 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 382 6.362 -38.071 -13.168 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 383 16.997 -42.148 -6.595 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 383 16.200 -42.563 -6.924 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 383 17.442 -42.839 -6.104 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 384 4.771 -43.556 -14.909 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 384 4.726 -42.617 -14.730 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 384 3.883 -43.792 -15.179 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 385 4.509 -34.834 -10.075 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 385 3.677 -34.361 -10.048 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 385 5.055 -34.324 -10.674 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 386 8.395 -33.302 2.875 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 386 9.163 -33.761 3.216 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 386 8.374 -33.528 1.945 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 387 16.095 -38.525 -0.975 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 387 16.840 -37.937 -1.095 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 387 15.338 -37.943 -0.912 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 388 9.195 -40.095 -13.353 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 388 8.736 -40.579 -12.667 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 388 9.450 -40.763 -13.989 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 389 10.266 -41.852 -15.090 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 389 10.086 -42.006 -16.018 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 389 11.217 -41.744 -15.046 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 390 13.504 -39.731 2.281 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 390 14.457 -39.647 2.253 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 390 13.344 -40.442 2.900 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 391 19.656 -39.497 -15.645 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 391 19.383 -39.922 -16.458 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 391 19.696 -38.566 -15.862 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 392 10.818 -41.038 -2.182 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 392 11.569 -41.194 -2.755 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 392 10.479 -40.186 -2.458 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 393 16.550 -40.434 0.924 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 393 16.269 -39.725 0.346 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 393 17.493 -40.507 0.773 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 394 2.381 -31.132 -9.529 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 394 1.734 -31.594 -10.062 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 394 2.736 -31.804 -8.946 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 395 3.251 -33.051 -7.724 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 395 2.917 -33.932 -7.552 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 395 3.473 -32.706 -6.860 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 396 18.814 -36.885 2.816 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 396 17.948 -36.990 3.210 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 396 19.190 -36.126 3.263 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 397 20.115 -38.628 -11.670 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 397 20.965 -38.207 -11.542 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 397 20.120 -39.368 -11.062 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 398 20.509 -40.575 -9.846 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 398 19.783 -41.054 -9.448 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 398 21.090 -40.369 -9.114 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 399 20.268 -37.790 -4.898 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 399 21.102 -38.168 -5.179 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 399 20.380 -36.847 -5.017 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 400 20.777 -40.674 -13.455 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 400 20.256 -40.317 -14.174 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 400 20.744 -39.999 -12.777 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 401 19.126 -43.434 -14.904 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 401 19.223 -42.767 -15.584 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 401 18.986 -44.250 -15.386 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 402 18.296 -42.054 -9.283 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 402 18.146 -42.999 -9.303 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 402 17.942 -41.773 -8.439 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 403 19.152 -40.084 0.356 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 403 19.735 -40.818 0.547 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 403 19.716 -39.312 0.402 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 404 7.877 -34.248 -2.370 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 404 7.452 -33.439 -2.653 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 404 8.782 -34.163 -2.672 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 405 12.188 -32.849 0.589 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 405 12.373 -33.183 1.467 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 405 13.035 -32.540 0.267 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 406 5.279 -30.992 -2.323 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 406 4.559 -30.552 -2.774 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 406 4.913 -31.243 -1.474 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 407 7.746 -31.392 -3.293 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 407 6.881 -31.320 -2.889 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 407 7.691 -30.845 -4.077 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 408 4.694 -32.369 -5.412 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 408 4.675 -32.794 -4.555 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 408 5.499 -32.687 -5.821 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 409 3.945 -33.145 -12.241 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 409 3.260 -33.183 -12.909 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 409 3.948 -32.232 -11.953 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 410 14.036 -32.436 11.805 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 410 14.656 -33.113 11.532 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 410 13.828 -32.654 12.713 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 411 14.083 -37.134 8.915 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 411 13.787 -37.456 8.064 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 411 13.759 -36.234 8.957 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 412 15.689 -33.920 10.566 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 412 16.114 -34.627 10.081 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 412 16.006 -33.119 10.149 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 413 16.848 -36.019 9.075 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 413 16.591 -36.709 8.463 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 413 16.919 -36.462 9.920 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 414 13.010 -34.382 9.396 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 414 13.484 -34.087 10.174 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 414 12.447 -33.644 9.163 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 415 20.172 -35.003 4.151 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 415 20.245 -34.064 4.321 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 415 21.077 -35.308 4.094 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 416 16.761 -40.086 3.591 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 416 16.803 -40.309 2.661 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 416 17.610 -39.688 3.781 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 417 11.169 -38.422 6.681 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 417 10.425 -38.929 6.358 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 417 11.035 -38.373 7.627 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 418 13.295 -36.963 5.706 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 418 13.000 -36.137 6.088 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 418 12.592 -37.583 5.902 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 419 18.966 -34.745 6.700 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 419 18.593 -35.571 7.010 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 419 19.243 -34.928 5.803 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 420 8.669 -35.609 9.855 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 420 9.196 -34.836 9.654 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 420 7.789 -35.384 9.553 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 421 10.096 -37.946 9.431 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 421 9.855 -37.021 9.473 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 421 9.356 -38.405 9.827 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 422 8.780 -32.924 8.976 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 422 7.830 -32.819 9.028 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 422 9.131 -32.104 9.321 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 423 16.358 -36.769 4.521 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 423 16.711 -37.149 5.325 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 423 15.409 -36.862 4.607 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 424 17.224 -38.096 6.747 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 424 16.947 -38.824 7.303 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 424 18.151 -37.977 6.953 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 425 10.449 -35.657 2.968 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 425 10.688 -36.405 2.420 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 425 10.180 -36.045 3.800 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 426 9.386 -36.087 5.424 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 426 9.533 -36.607 6.214 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 426 9.383 -35.180 5.730 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 427 9.462 -33.346 6.155 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 427 9.623 -32.546 5.654 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 427 9.265 -33.039 7.040 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 428 13.398 -37.020 2.933 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 428 13.130 -36.840 3.834 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 428 13.192 -37.946 2.802 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 429 10.164 -31.161 4.767 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 429 11.097 -31.003 4.911 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 429 9.900 -30.486 4.142 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 430 17.538 -32.152 9.684 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 430 18.191 -32.499 9.076 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 430 18.049 -31.663 10.330 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 431 19.518 -32.372 7.692 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 431 19.324 -33.120 7.127 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 431 19.479 -31.614 7.108 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 432 14.286 -20.879 -46.696 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 432 14.375 -19.935 -46.828 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 432 13.647 -21.154 -47.354 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 433 13.219 -21.624 -43.277 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 433 13.181 -22.270 -42.572 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 433 12.896 -22.090 -44.048 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 434 16.925 -18.685 -44.975 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 434 16.484 -19.405 -44.525 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 434 16.912 -17.964 -44.345 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 435 14.036 -13.580 -44.763 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 435 14.656 -14.257 -45.036 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 435 13.828 -13.798 -43.855 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 436 11.608 -19.191 -42.871 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 436 11.912 -19.877 -43.465 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 436 12.330 -19.073 -42.253 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 437 20.271 -27.590 -42.010 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 437 20.320 -26.980 -41.274 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 437 20.697 -27.129 -42.733 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 438 14.749 -24.797 -42.543 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 438 14.892 -25.744 -42.523 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 438 14.643 -24.590 -43.472 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 439 15.626 -26.565 -46.870 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 439 16.272 -26.894 -46.245 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 439 16.136 -26.047 -47.493 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 440 6.714 -27.778 -41.197 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 440 6.495 -27.248 -41.963 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 440 6.046 -27.551 -40.549 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 441 14.083 -18.278 -47.653 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 441 13.787 -18.600 -48.504 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 441 13.759 -17.378 -47.611 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 442 9.283 -20.102 -40.909 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 442 8.543 -19.504 -40.806 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 442 9.997 -19.548 -41.225 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 443 17.390 -27.274 -44.889 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 443 17.175 -28.040 -44.357 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 443 18.046 -26.802 -44.376 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 444 7.691 -18.138 -40.122 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 444 7.685 -17.259 -40.500 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 444 6.837 -18.221 -39.697 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 445 17.737 -28.559 -41.210 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 445 17.001 -27.948 -41.248 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 445 18.421 -28.144 -41.736 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 446 15.689 -15.064 -46.002 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 446 16.114 -15.771 -46.487 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 446 16.006 -14.263 -46.419 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 447 16.848 -17.163 -47.493 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 447 16.591 -17.853 -48.105 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 447 16.919 -17.606 -46.648 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 448 16.413 -21.425 -48.292 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 448 15.681 -21.197 -47.719 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 448 16.860 -22.139 -47.837 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 449 14.734 -16.523 -42.042 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 449 14.493 -15.861 -41.394 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 449 14.536 -17.357 -41.617 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 450 9.305 -17.627 -38.059 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 450 8.993 -16.845 -37.603 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 450 8.655 -17.780 -38.745 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 451 6.225 -21.429 -38.830 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 451 6.295 -20.778 -38.132 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 451 5.334 -21.326 -39.165 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 452 5.390 -18.039 -38.962 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 452 5.607 -18.400 -38.102 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 452 4.535 -18.413 -39.172 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 453 12.672 -29.847 -39.592 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 453 13.092 -30.262 -38.839 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 453 11.739 -30.025 -39.475 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 454 12.735 -23.791 -36.654 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 454 12.172 -24.495 -36.334 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 454 13.561 -23.911 -36.187 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 455 14.637 -24.520 -45.328 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 455 14.442 -23.915 -46.043 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 455 14.819 -25.354 -45.763 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 456 5.850 -24.283 -40.004 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 456 5.812 -23.883 -39.136 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 456 5.359 -25.100 -39.914 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 457 15.084 -27.720 -42.609 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 457 14.407 -27.589 -41.945 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 457 14.598 -27.875 -43.419 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 458 5.969 -19.574 -36.724 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 458 6.702 -19.320 -36.163 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 458 5.189 -19.370 -36.209 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 459 11.999 -24.167 -43.986 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 459 12.563 -24.714 -44.533 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 459 11.851 -24.689 -43.197 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 460 10.625 -25.779 -41.572 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 460 9.790 -25.325 -41.462 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 460 11.149 -25.503 -40.820 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 461 12.689 -19.382 -38.650 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 461 12.343 -19.763 -37.844 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 461 12.489 -18.448 -38.579 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 462 3.302 -21.810 -38.803 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 462 3.525 -22.228 -37.971 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 462 2.700 -22.423 -39.225 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 463 20.670 -24.675 -50.333 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 463 20.116 -25.071 -51.005 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 463 20.771 -23.765 -50.610 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 464 10.611 -14.941 -40.822 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 464 10.974 -14.086 -41.055 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 464 11.143 -15.233 -40.081 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 465 14.155 -18.842 -41.121 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 465 13.729 -19.069 -40.295 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 465 14.736 -19.580 -41.304 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 466 4.936 -27.057 -39.245 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 466 4.043 -26.718 -39.312 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 466 4.837 -27.912 -38.827 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 467 17.224 -19.240 -49.821 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 467 16.947 -19.968 -49.265 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 467 18.151 -19.121 -49.615 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 468 4.587 -15.252 -40.810 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 468 4.804 -16.184 -40.841 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 468 4.834 -14.978 -39.926 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 469 13.671 -27.316 -40.355 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 469 14.369 -27.242 -39.705 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 469 13.290 -28.180 -40.200 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 470 12.191 -24.950 -39.238 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 470 12.310 -24.376 -38.481 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 470 12.846 -25.638 -39.123 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 471 18.395 -27.043 -38.403 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 471 17.479 -26.780 -38.491 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 471 18.731 -27.046 -39.300 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 472 18.084 -14.036 -42.685 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 472 17.928 -13.358 -43.342 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 472 19.016 -13.964 -42.482 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 473 3.705 -19.555 -35.503 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 473 3.849 -20.457 -35.789 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 473 2.932 -19.269 -35.991 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 474 4.537 -22.355 -36.083 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 474 4.945 -23.212 -36.204 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 474 4.277 -22.340 -35.162 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 475 8.484 -23.346 -38.709 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 475 7.866 -22.671 -38.428 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 475 8.828 -23.025 -39.542 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 476 8.824 -25.991 -37.626 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 476 8.974 -26.720 -38.229 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 476 8.826 -25.214 -38.185 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 477 9.236 -27.621 -40.134 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 477 9.772 -27.170 -40.786 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 477 8.384 -27.729 -40.556 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 478 10.818 -22.182 -39.894 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 478 11.569 -22.338 -40.467 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 478 10.479 -21.330 -40.170 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 479 10.042 -30.165 -39.702 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 479 9.944 -29.218 -39.808 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 479 9.299 -30.537 -40.178 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 480 11.306 -25.843 -36.139 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 480 11.070 -26.063 -35.237 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 480 10.523 -26.050 -36.648 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 481 14.022 -26.716 -37.063 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 481 13.074 -26.684 -36.931 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 481 14.334 -27.341 -36.409 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 482 20.800 -13.386 -42.456 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 482 20.778 -13.201 -41.517 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 482 21.490 -12.817 -42.797 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 483 20.115 -19.772 -49.382 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 483 20.965 -19.351 -49.254 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 483 20.120 -20.512 -48.774 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 484 20.509 -21.719 -47.558 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 484 19.783 -22.198 -47.160 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 484 21.090 -21.513 -46.826 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 485 18.296 -23.198 -46.995 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 485 18.146 -24.143 -47.015 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 485 17.942 -22.917 -46.151 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 486 18.006 -25.615 -48.533 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 486 18.286 -26.522 -48.408 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 486 18.765 -25.181 -48.922 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 487 18.620 -28.352 -48.484 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 487 18.802 -28.801 -47.659 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 487 18.020 -28.937 -48.948 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 488 2.731 -29.542 -40.485 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 488 2.066 -29.788 -39.842 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 488 2.288 -28.920 -41.062 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 489 7.877 -15.392 -40.082 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 489 7.452 -14.583 -40.365 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 489 8.782 -15.307 -40.384 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 490 19.451 -30.118 -38.799 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 490 18.638 -29.793 -39.187 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 490 19.684 -30.878 -39.332 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 491 5.279 -12.136 -40.035 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 491 4.559 -11.696 -40.486 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 491 4.913 -12.387 -39.186 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 492 7.746 -12.536 -41.005 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 492 6.881 -12.464 -40.601 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 492 7.691 -11.989 -41.789 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 493 12.457 -12.648 -41.829 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 493 12.000 -12.119 -42.483 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 493 12.620 -12.045 -41.104 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 494 18.023 -30.562 -44.364 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 494 18.627 -30.014 -44.865 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 494 17.154 -30.242 -44.604 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 495 19.750 -29.423 -46.030 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 495 20.362 -29.937 -46.557 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 495 20.133 -28.545 -46.007 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 496 20.271 -27.590 -23.154 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 496 20.320 -26.980 -22.418 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 496 20.697 -27.129 -23.877 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 497 20.663 -26.112 -20.918 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 497 19.974 -25.454 -21.013 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 497 20.678 -26.309 -19.981 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 498 17.437 -16.845 -23.771 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 498 16.495 -16.787 -23.610 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 498 17.713 -15.939 -23.908 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 499 16.848 -17.163 -28.637 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 499 16.591 -17.853 -29.249 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 499 16.919 -17.606 -27.792 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 500 18.534 -18.597 -20.160 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 500 18.674 -19.188 -20.899 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 500 18.702 -17.724 -20.516 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 501 20.376 -22.257 -22.094 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 501 19.724 -21.562 -22.005 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 501 20.841 -22.047 -22.904 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 502 18.982 -30.513 -31.938 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 502 18.083 -30.374 -31.643 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 502 19.234 -29.682 -32.340 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 503 21.089 -15.916 -18.583 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 503 21.040 -16.871 -18.620 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 503 20.263 -15.648 -18.181 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 504 18.371 -12.048 -17.476 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 504 18.571 -11.624 -18.311 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 504 19.027 -11.705 -16.869 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 505 18.319 -20.433 -22.245 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 505 18.961 -19.976 -22.788 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 505 17.489 -20.320 -22.707 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 506 20.670 -24.675 -31.477 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 506 20.116 -25.071 -32.149 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 506 20.771 -23.765 -31.754 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 507 20.634 -18.875 -18.640 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 507 19.782 -18.637 -19.007 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 507 21.224 -18.892 -19.393 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 508 18.966 -15.889 -31.012 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 508 18.593 -16.715 -30.702 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 508 19.243 -16.072 -31.909 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 509 16.814 -14.290 -19.796 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 509 16.212 -14.845 -20.291 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 509 17.095 -13.623 -20.422 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 510 20.862 -13.433 -32.990 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 510 21.605 -12.847 -33.130 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 510 20.167 -12.865 -32.657 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 511 17.224 -19.240 -30.965 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 511 16.947 -19.968 -30.409 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 511 18.151 -19.121 -30.759 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 512 18.084 -14.036 -23.829 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 512 17.928 -13.358 -24.486 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 512 19.016 -13.964 -23.626 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 513 3.732 -17.669 -33.462 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 513 4.646 -17.590 -33.189 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 513 3.739 -18.356 -34.129 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 514 20.115 -19.772 -30.526 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 514 20.965 -19.351 -30.398 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 514 20.120 -20.512 -29.918 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 515 20.509 -21.719 -28.702 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 515 19.783 -22.198 -28.304 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 515 21.090 -21.513 -27.970 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 516 20.268 -18.934 -23.754 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 516 21.102 -19.312 -24.035 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 516 20.380 -17.991 -23.873 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 517 18.755 -16.056 -21.447 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 517 18.107 -15.731 -20.822 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 517 18.237 -16.496 -22.122 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 518 20.777 -21.818 -32.311 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 518 20.256 -21.461 -33.030 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 518 20.744 -21.143 -31.633 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 519 18.296 -23.198 -28.139 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 519 18.146 -24.143 -28.159 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 519 17.942 -22.917 -27.295 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 520 19.152 -21.228 -18.500 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 520 19.735 -21.962 -18.309 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 520 19.716 -20.456 -18.454 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 521 20.649 -23.325 -17.816 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 521 19.786 -23.704 -17.981 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 521 21.253 -24.064 -17.890 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 522 18.618 -25.034 -24.241 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 522 19.551 -24.822 -24.275 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 522 18.383 -24.932 -23.318 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 523 18.620 -28.352 -29.628 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 523 18.802 -28.801 -28.803 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 523 18.020 -28.937 -30.092 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 524 20.450 -28.208 -17.762 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 524 19.533 -27.937 -17.798 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 524 20.573 -28.743 -18.546 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 525 17.538 -13.296 -28.028 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 525 18.191 -13.643 -28.636 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 525 18.049 -12.807 -27.382 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 526 12.188 -13.993 -18.267 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 526 12.373 -14.327 -17.389 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 526 13.035 -13.684 -18.589 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 527 14.533 -12.708 -19.023 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 527 15.210 -13.340 -19.263 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 527 14.855 -12.306 -18.215 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 528 12.457 -12.648 -22.973 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 528 12.000 -12.119 -23.627 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 528 12.620 -12.045 -22.248 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 529 14.784 -13.770 -22.028 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 529 13.880 -13.605 -22.294 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 529 15.213 -12.917 -22.094 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 530 17.389 -12.200 -21.733 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 530 17.207 -11.284 -21.944 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 530 17.565 -12.610 -22.580 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 531 19.750 -29.423 -27.174 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 531 20.362 -29.937 -27.701 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 531 20.133 -28.545 -27.151 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 532 16.697 -30.052 -30.643 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 532 15.994 -29.438 -30.853 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 532 16.252 -30.890 -30.512 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 533 19.518 -13.516 -30.020 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 533 19.324 -14.264 -30.585 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 533 19.479 -12.758 -30.604 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 534 18.736 -14.765 -17.870 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 534 17.954 -14.951 -18.390 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 534 18.664 -13.836 -17.653 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 535 5.587 -22.009 -3.972 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 535 5.629 -22.635 -3.248 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 535 6.290 -21.386 -3.790 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 536 6.714 -27.778 -3.485 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 536 6.495 -27.248 -4.251 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 536 6.046 -27.551 -2.837 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 537 16.848 -17.163 -9.781 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 537 16.591 -17.853 -10.393 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 537 16.919 -17.606 -8.936 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 538 6.225 -21.429 -1.118 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 538 6.295 -20.778 -0.420 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 538 5.334 -21.326 -1.453 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 539 20.172 -16.147 -14.705 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 539 20.245 -15.208 -14.535 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 539 21.077 -16.452 -14.762 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 540 3.141 -19.362 -2.293 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 540 2.640 -19.390 -3.108 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 540 3.147 -20.268 -1.983 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 541 12.482 -12.570 -11.045 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 541 12.407 -12.691 -11.991 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 541 12.515 -11.620 -10.926 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 542 15.584 -13.416 -14.042 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 542 15.959 -14.160 -14.513 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 542 15.588 -13.686 -13.124 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 543 15.253 -13.490 -11.293 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 543 14.318 -13.390 -11.114 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 543 15.533 -14.199 -10.715 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 544 5.390 -18.039 -1.250 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 544 5.607 -18.400 -0.390 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 544 4.535 -18.413 -1.460 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 545 8.100 -24.603 -4.159 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 545 7.458 -24.644 -3.450 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 545 8.137 -23.677 -4.397 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 546 5.850 -24.283 -2.292 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 546 5.812 -23.883 -1.424 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 546 5.359 -25.100 -2.202 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 547 5.969 -19.574 0.988 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 547 6.702 -19.320 1.549 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 547 5.189 -19.370 1.503 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 548 6.294 -20.271 -6.406 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 548 7.039 -20.273 -7.007 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 548 6.372 -21.095 -5.924 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 549 3.302 -21.810 -1.091 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 549 3.525 -22.228 -0.259 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 549 2.700 -22.423 -1.513 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 550 18.966 -15.889 -12.156 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 550 18.593 -16.715 -11.846 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 550 19.243 -16.072 -13.053 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 551 20.862 -13.433 -14.134 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 551 21.605 -12.847 -14.274 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 551 20.167 -12.865 -13.801 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 552 5.579 -29.918 -6.236 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 552 5.350 -29.859 -7.163 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 552 5.136 -30.710 -5.929 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 553 3.705 -19.555 2.209 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 553 3.849 -20.457 1.923 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 553 2.932 -19.269 1.721 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 554 8.484 -23.346 -0.997 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 554 7.866 -22.671 -0.716 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 554 8.828 -23.025 -1.830 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 555 19.656 -20.641 -15.645 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 555 19.383 -21.066 -16.458 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 555 19.696 -19.710 -15.862 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 556 8.824 -25.991 0.086 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 556 8.974 -26.720 -0.517 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 556 8.826 -25.214 -0.473 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 557 9.236 -27.621 -2.422 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 557 9.772 -27.170 -3.074 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 557 8.384 -27.729 -2.844 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 558 7.302 -24.793 1.997 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 558 6.535 -25.325 1.787 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 558 7.981 -25.103 1.398 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 559 10.042 -30.165 -1.990 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 559 9.944 -29.218 -2.096 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 559 9.299 -30.537 -2.466 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 560 5.483 -26.872 1.702 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 560 5.694 -27.579 1.091 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 560 5.371 -27.310 2.546 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 561 10.264 -30.871 0.681 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 561 10.976 -31.511 0.667 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 561 10.163 -30.604 -0.233 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 562 20.800 -13.386 -4.744 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 562 20.778 -13.201 -3.805 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 562 21.490 -12.817 -5.085 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 563 20.363 -13.819 -1.822 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 563 19.876 -14.554 -2.193 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 563 20.912 -14.212 -1.144 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 564 20.115 -19.772 -11.670 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 564 20.965 -19.351 -11.542 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 564 20.120 -20.512 -11.062 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 565 20.777 -21.818 -13.455 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 565 20.256 -21.461 -14.174 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 565 20.744 -21.143 -12.777 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 566 3.331 -21.120 -5.273 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 566 3.515 -21.202 -6.208 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 566 4.180 -21.244 -4.849 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 567 4.150 -27.537 -6.241 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 567 4.595 -28.329 -5.939 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 567 4.616 -26.821 -5.810 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 568 2.454 -24.538 -5.172 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 568 2.946 -24.759 -5.962 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 568 2.816 -23.697 -4.891 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 569 17.538 -13.296 -9.172 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 569 18.191 -13.643 -9.780 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 569 18.049 -12.807 -8.526 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 570 4.923 -16.367 1.371 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 570 4.102 -16.192 0.911 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 570 4.671 -16.440 2.292 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 571 19.518 -13.516 -11.164 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 571 19.324 -14.264 -11.729 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 571 19.479 -12.758 -11.748 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 572 7.138 -30.170 2.111 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 572 8.037 -30.444 1.926 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 572 6.752 -30.913 2.575 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 573 14.286 -20.879 9.872 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 573 14.375 -19.935 9.740 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 573 13.647 -21.154 9.214 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 574 15.626 -26.565 9.698 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 574 16.272 -26.894 10.323 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 574 16.136 -26.047 9.075 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 575 9.680 -22.749 11.275 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 575 10.296 -23.275 11.784 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 575 9.094 -23.389 10.871 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 576 14.083 -18.278 8.915 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 576 13.787 -18.600 8.064 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 576 13.759 -17.378 8.957 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 577 16.848 -17.163 9.075 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 577 16.591 -17.853 8.463 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 577 16.919 -17.606 9.920 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 578 16.413 -21.425 8.276 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 578 15.681 -21.197 8.849 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 578 16.860 -22.139 8.731 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 579 8.058 -20.795 10.159 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 579 7.728 -21.165 9.340 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 579 8.646 -21.465 10.505 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 580 13.010 -15.526 9.396 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 580 13.484 -15.231 10.174 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 580 12.447 -14.788 9.163 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 581 7.048 -21.725 7.748 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 581 6.756 -20.957 7.257 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 581 6.374 -22.385 7.585 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 582 12.482 -12.570 7.811 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 582 12.407 -12.691 6.865 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 582 12.515 -11.620 7.930 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 583 15.584 -13.416 4.814 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 583 15.959 -14.160 4.343 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 583 15.588 -13.686 5.732 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 584 15.253 -13.490 7.563 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 584 14.318 -13.390 7.742 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 584 15.533 -14.199 8.141 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 585 8.097 -24.382 9.609 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 585 7.204 -24.723 9.550 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 585 8.548 -24.759 8.853 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 586 14.637 -24.520 11.240 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 586 14.442 -23.915 10.525 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 586 14.819 -25.354 10.805 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 587 10.679 -26.955 10.695 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 587 9.768 -26.898 10.984 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 587 11.184 -27.015 11.506 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 588 9.160 -25.326 7.178 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 588 10.092 -25.197 7.356 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 588 8.945 -24.656 6.529 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 589 7.834 -24.131 4.745 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 589 7.292 -24.511 4.054 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 589 8.668 -23.937 4.316 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 590 11.999 -24.167 12.582 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 590 12.563 -24.714 12.035 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 590 11.851 -24.689 13.371 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 591 11.169 -19.566 6.681 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 591 10.425 -20.073 6.358 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 591 11.035 -19.517 7.627 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 592 13.295 -18.107 5.706 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 592 13.000 -17.281 6.088 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 592 12.592 -18.727 5.902 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 593 20.670 -24.675 6.235 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 593 20.116 -25.071 5.563 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 593 20.771 -23.765 5.958 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 594 10.096 -19.090 9.431 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 594 9.855 -18.165 9.473 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 594 9.356 -19.549 9.827 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 595 8.780 -14.068 8.976 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 595 7.830 -13.963 9.028 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 595 9.131 -13.248 9.321 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 596 17.224 -19.240 6.747 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 596 16.947 -19.968 7.303 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 596 18.151 -19.121 6.953 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 597 9.386 -17.231 5.424 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 597 9.533 -17.751 6.214 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 597 9.383 -16.324 5.730 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 598 12.124 -15.533 6.173 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 598 11.307 -15.036 6.226 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 598 12.653 -15.058 5.533 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 599 11.655 -25.936 8.145 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 599 12.467 -25.432 8.191 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 599 11.410 -26.081 9.059 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 600 12.539 -28.855 9.083 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 600 12.192 -28.237 9.728 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 600 13.197 -28.354 8.602 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 601 9.462 -14.490 6.155 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 601 9.623 -13.690 5.654 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 601 9.265 -14.183 7.040 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 602 8.196 -27.792 5.771 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 602 8.113 -26.903 6.117 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 602 9.086 -28.057 6.002 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 603 6.455 -17.364 4.831 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 603 7.047 -16.665 5.107 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 603 6.914 -17.797 4.112 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 604 4.771 -24.700 3.947 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 604 4.726 -23.761 4.126 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 604 3.883 -24.936 3.677 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 605 8.046 -19.211 3.197 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 605 8.110 -20.005 3.728 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 605 8.699 -19.330 2.508 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 606 9.195 -21.239 5.503 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 606 8.736 -21.723 6.189 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 606 9.450 -21.907 4.867 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 607 3.732 -17.669 4.250 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 607 4.646 -17.590 4.523 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 607 3.739 -18.356 3.583 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 608 20.115 -19.772 7.186 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 608 20.965 -19.351 7.314 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 608 20.120 -20.512 7.794 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 609 20.509 -21.719 9.010 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 609 19.783 -22.198 9.408 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 609 21.090 -21.513 9.742 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 610 18.296 -23.198 9.573 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 610 18.146 -24.143 9.553 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 610 17.942 -22.917 10.417 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 611 18.006 -25.615 8.035 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 611 18.286 -26.522 8.160 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 611 18.765 -25.181 7.646 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 612 18.620 -28.352 8.084 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 612 18.802 -28.801 8.909 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 612 18.020 -28.937 7.620 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 613 17.538 -13.296 9.684 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 613 18.191 -13.643 9.076 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 613 18.049 -12.807 10.330 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 614 18.023 -30.562 12.204 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 614 18.627 -30.014 11.703 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 614 17.154 -30.242 11.964 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 615 19.750 -29.423 10.538 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 615 20.362 -29.937 10.011 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 615 20.133 -28.545 10.561 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 616 9.787 -30.108 9.727 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 616 10.661 -29.720 9.697 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 616 9.651 -30.323 10.650 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 617 15.344 -30.078 11.376 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 617 15.420 -29.983 10.427 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 617 15.068 -30.986 11.505 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 618 5.905 -28.321 4.160 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 618 6.396 -28.951 3.632 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 618 6.528 -28.025 4.823 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 619 19.518 -13.516 7.692 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 619 19.324 -14.264 7.127 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 619 19.479 -12.758 7.108 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 620 5.763 -13.369 3.640 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 620 5.495 -13.082 4.513 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 620 6.534 -13.915 3.792 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 621 20.271 -8.734 -42.010 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 621 20.320 -8.124 -41.274 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 621 20.697 -8.273 -42.733 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 622 14.749 -5.941 -42.543 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 622 14.892 -6.888 -42.523 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 622 14.643 -5.734 -43.472 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 623 20.663 -7.256 -39.774 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 623 19.974 -6.598 -39.869 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 623 20.678 -7.453 -38.837 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 624 17.737 -9.703 -41.210 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 624 17.001 -9.092 -41.248 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 624 18.421 -9.288 -41.736 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 625 10.740 -11.616 -43.744 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 625 10.623 -12.565 -43.798 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 625 9.885 -11.284 -43.471 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 626 16.310 -4.395 -39.224 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 626 16.390 -3.632 -38.652 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 626 15.709 -4.116 -39.915 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 627 18.241 -5.567 -36.959 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 627 17.834 -5.086 -37.679 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 627 18.282 -6.472 -37.266 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 628 15.998 -7.235 -38.738 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 628 15.484 -7.361 -37.941 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 628 15.843 -6.323 -38.983 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 629 12.735 -4.935 -36.654 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 629 12.172 -5.639 -36.334 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 629 13.561 -5.055 -36.187 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 630 13.901 -4.026 -40.657 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 630 14.225 -4.657 -41.300 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 630 13.461 -4.561 -39.996 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 631 15.084 -8.864 -42.609 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 631 14.407 -8.733 -41.945 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 631 14.598 -9.019 -43.419 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 632 10.625 -6.923 -41.572 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 632 9.790 -6.469 -41.462 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 632 11.149 -6.647 -40.820 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 633 4.936 -8.201 -39.245 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 633 4.043 -7.862 -39.312 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 633 4.837 -9.056 -38.827 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 634 13.671 -8.460 -40.355 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 634 14.369 -8.386 -39.705 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 634 13.290 -9.324 -40.200 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 635 12.191 -6.094 -39.238 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 635 12.310 -5.520 -38.481 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 635 12.846 -6.782 -39.123 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 636 18.395 -8.187 -38.403 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 636 17.479 -7.924 -38.491 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 636 18.731 -8.190 -39.300 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 637 8.824 -7.135 -37.626 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 637 8.974 -7.864 -38.229 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 637 8.826 -6.358 -38.185 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 638 9.236 -8.765 -40.134 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 638 9.772 -8.314 -40.786 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 638 8.384 -8.873 -40.556 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 639 15.234 -5.511 -34.866 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 639 15.426 -6.442 -34.977 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 639 16.091 -5.086 -34.876 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 640 7.302 -5.937 -35.715 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 640 6.535 -6.469 -35.925 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 640 7.981 -6.247 -36.314 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 641 10.042 -11.309 -39.702 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 641 9.944 -10.362 -39.808 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 641 9.299 -11.681 -40.178 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 642 11.306 -6.987 -36.139 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 642 11.070 -7.207 -35.237 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 642 10.523 -7.194 -36.648 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 643 5.483 -8.016 -36.010 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 643 5.694 -8.723 -36.621 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 643 5.371 -8.454 -35.166 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 644 18.647 -5.441 -40.321 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 644 17.804 -5.173 -39.955 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 644 19.090 -4.619 -40.532 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 645 2.929 -6.993 -36.844 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 645 3.848 -7.115 -36.608 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 645 2.479 -7.743 -36.455 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 646 20.930 -11.461 -34.967 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 646 21.280 -12.115 -35.573 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 646 21.077 -10.624 -35.407 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 647 20.450 -9.352 -36.618 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 647 19.533 -9.081 -36.654 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 647 20.573 -9.887 -37.402 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 648 2.731 -10.686 -40.485 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 648 2.066 -10.932 -39.842 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 648 2.288 -10.064 -41.062 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 649 19.451 -11.262 -38.799 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 649 18.638 -10.937 -39.187 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 649 19.684 -12.022 -39.332 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 650 12.881 -9.813 -44.476 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 650 12.206 -10.442 -44.221 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 650 13.445 -10.297 -45.079 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 651 18.023 -11.706 -44.364 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 651 18.627 -11.158 -44.865 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 651 17.154 -11.386 -44.604 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 652 15.344 -11.222 -45.192 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 652 15.420 -11.127 -46.141 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 652 15.068 -12.130 -45.063 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 653 5.165 -10.665 -37.137 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 653 4.799 -11.430 -36.694 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 653 6.078 -10.636 -36.850 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 654 5.587 -3.153 -22.828 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 654 5.629 -3.779 -22.104 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 654 6.290 -2.530 -22.646 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 655 3.831 -2.881 -26.774 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 655 4.045 -3.651 -26.247 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 655 4.569 -2.792 -27.377 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 656 7.904 -7.840 -26.415 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 656 7.947 -6.980 -26.833 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 656 7.446 -8.392 -27.048 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 657 15.626 -7.709 -28.014 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 657 16.272 -8.038 -27.389 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 657 16.136 -7.191 -28.637 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 658 4.524 -5.443 -25.653 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 658 5.178 -5.993 -25.221 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 658 4.548 -5.717 -26.569 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 659 6.714 -8.922 -22.341 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 659 6.495 -8.392 -23.107 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 659 6.046 -8.695 -21.693 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 660 6.308 -7.030 -24.388 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 660 6.921 -6.397 -24.015 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 660 6.820 -7.502 -25.045 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 661 10.740 -11.616 -24.888 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 661 10.623 -12.565 -24.942 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 661 9.885 -11.284 -24.615 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 662 13.061 -4.321 -33.349 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 662 13.762 -4.299 -32.698 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 662 13.363 -4.949 -34.005 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 663 8.425 -3.170 -23.920 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 663 8.990 -3.049 -24.683 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 663 8.744 -2.533 -23.281 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 664 6.225 -2.573 -19.974 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 664 6.295 -1.922 -19.276 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 664 5.334 -2.470 -20.309 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 665 18.982 -11.657 -31.938 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 665 18.083 -11.518 -31.643 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 665 19.234 -10.826 -32.340 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 666 3.141 -0.506 -21.149 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 666 2.640 -0.534 -21.964 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 666 3.147 -1.412 -20.839 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 667 8.009 -10.713 -24.110 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 667 7.148 -10.800 -24.518 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 667 7.987 -9.857 -23.683 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 668 12.672 -10.991 -20.736 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 668 13.092 -11.406 -19.983 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 668 11.739 -11.169 -20.619 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 669 8.100 -5.747 -23.015 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 669 7.458 -5.788 -22.306 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 669 8.137 -4.821 -23.253 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 670 13.633 -5.110 -29.286 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 670 13.224 -4.295 -29.578 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 670 14.353 -5.250 -29.901 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 671 9.216 -8.053 -34.350 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 671 8.785 -8.498 -33.620 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 671 8.498 -7.681 -34.862 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 672 2.458 -8.311 -27.298 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 672 3.089 -8.340 -26.578 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 672 2.908 -8.736 -28.028 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 673 3.733 -7.565 -31.874 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 673 4.207 -6.974 -32.459 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 673 3.015 -7.034 -31.527 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 674 10.679 -8.099 -27.017 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 674 9.768 -8.042 -26.728 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 674 11.184 -8.159 -26.206 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 675 5.507 -6.470 -28.190 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 675 4.618 -6.370 -28.530 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 675 5.803 -7.312 -28.536 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 676 9.160 -6.470 -30.534 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 676 10.092 -6.341 -30.356 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 676 8.945 -5.800 -31.183 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 677 7.834 -5.275 -32.967 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 677 7.292 -5.655 -33.658 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 677 8.668 -5.081 -33.396 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 678 7.001 -9.175 -28.712 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 678 6.684 -10.077 -28.747 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 678 7.782 -9.173 -29.264 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 679 15.067 -7.896 -32.832 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 679 14.129 -7.784 -32.983 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 679 15.364 -7.039 -32.526 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 680 15.785 -6.029 -31.171 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 680 16.677 -6.166 -30.852 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 680 15.842 -5.238 -31.708 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 681 3.302 -2.954 -19.947 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 681 3.525 -3.372 -19.115 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 681 2.700 -3.567 -20.369 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 682 14.455 -8.808 -30.402 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 682 14.675 -8.336 -31.205 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 682 15.013 -8.413 -29.731 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 683 11.655 -7.080 -29.567 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 683 12.467 -6.576 -29.521 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 683 11.410 -7.225 -28.653 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 684 12.539 -9.999 -28.629 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 684 12.192 -9.381 -27.984 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 684 13.197 -9.498 -29.110 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 685 8.196 -8.936 -31.941 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 685 8.113 -8.047 -31.595 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 685 9.086 -9.201 -31.710 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 686 4.771 -5.844 -33.765 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 686 4.726 -4.905 -33.586 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 686 3.883 -6.080 -34.035 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 687 3.705 -0.699 -16.647 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 687 3.849 -1.601 -16.933 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 687 2.932 -0.413 -17.135 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 688 4.537 -3.499 -17.227 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 688 4.945 -4.356 -17.348 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 688 4.277 -3.484 -16.306 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 689 8.484 -4.490 -19.853 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 689 7.866 -3.815 -19.572 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 689 8.828 -4.169 -20.686 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 690 10.266 -4.140 -33.946 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 690 10.086 -4.294 -34.874 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 690 11.217 -4.032 -33.902 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 691 8.824 -7.135 -18.770 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 691 8.974 -7.864 -19.373 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 691 8.826 -6.358 -19.329 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 692 9.236 -8.765 -21.278 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 692 9.772 -8.314 -21.930 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 692 8.384 -8.873 -21.700 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 693 7.302 -5.937 -16.859 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 693 6.535 -6.469 -17.069 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 693 7.981 -6.247 -17.458 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 694 10.042 -11.309 -20.846 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 694 9.944 -10.362 -20.952 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 694 9.299 -11.681 -21.322 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 695 5.483 -8.016 -17.154 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 695 5.694 -8.723 -17.765 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 695 5.371 -8.454 -16.310 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 696 10.617 -10.332 -16.121 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 696 10.486 -10.808 -16.942 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 696 10.018 -9.588 -16.177 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 697 19.126 -5.722 -33.760 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 697 19.223 -5.055 -34.440 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 697 18.986 -6.538 -34.242 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 698 3.331 -2.264 -24.129 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 698 3.515 -2.346 -25.064 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 698 4.180 -2.388 -23.705 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 699 18.374 -8.314 -34.643 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 699 18.984 -8.686 -34.006 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 699 17.537 -8.736 -34.447 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 700 18.620 -9.496 -29.628 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 700 18.802 -9.945 -28.803 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 700 18.020 -10.081 -30.092 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 701 4.150 -8.681 -25.097 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 701 4.595 -9.473 -24.795 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 701 4.616 -7.965 -24.666 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 702 20.486 -9.429 -33.100 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 702 20.899 -10.150 -33.576 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 702 21.168 -8.759 -33.042 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 703 2.767 -9.424 -29.973 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 703 1.842 -9.215 -30.103 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 703 3.221 -8.940 -30.663 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 704 12.881 -9.813 -25.620 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 704 12.206 -10.442 -25.365 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 704 13.445 -10.297 -26.223 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 705 18.023 -11.706 -25.508 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 705 18.627 -11.158 -26.009 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 705 17.154 -11.386 -25.748 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 706 9.787 -11.252 -27.985 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 706 10.661 -10.864 -28.015 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 706 9.651 -11.467 -27.062 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 707 15.344 -11.222 -26.336 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 707 15.420 -11.127 -27.285 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 707 15.068 -12.130 -26.207 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 708 16.697 -11.196 -30.643 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 708 15.994 -10.582 -30.853 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 708 16.252 -12.034 -30.512 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 709 15.560 -11.982 -16.563 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 709 15.636 -12.408 -15.709 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 709 16.453 -11.968 -16.905 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 710 20.271 -8.734 -4.298 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 710 20.320 -8.124 -3.562 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 710 20.697 -8.273 -5.021 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 711 14.749 -5.941 -4.831 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 711 14.892 -6.888 -4.811 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 711 14.643 -5.734 -5.760 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 712 7.904 -7.840 -7.559 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 712 7.947 -6.980 -7.977 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 712 7.446 -8.392 -8.192 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 713 15.626 -7.709 -9.158 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 713 16.272 -8.038 -8.533 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 713 16.136 -7.191 -9.781 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 714 20.663 -7.256 -2.062 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 714 19.974 -6.598 -2.157 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 714 20.678 -7.453 -1.125 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 715 6.714 -8.922 -3.485 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 715 6.495 -8.392 -4.251 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 715 6.046 -8.695 -2.837 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 716 17.390 -8.418 -7.177 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 716 17.175 -9.184 -6.645 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 716 18.046 -7.946 -6.664 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 717 6.308 -7.030 -5.532 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 717 6.921 -6.397 -5.159 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 717 6.820 -7.502 -6.189 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 718 17.737 -9.703 -3.498 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 718 17.001 -9.092 -3.536 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 718 18.421 -9.288 -4.024 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 719 18.982 -11.657 -13.082 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 719 18.083 -11.518 -12.787 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 719 19.234 -10.826 -13.484 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 720 15.998 -7.235 -1.026 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 720 15.484 -7.361 -0.229 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 720 15.843 -6.323 -1.271 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 721 12.334 -8.498 -14.595 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 721 12.080 -8.479 -13.672 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 721 12.077 -9.370 -14.896 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 722 8.100 -5.747 -4.159 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 722 7.458 -5.788 -3.450 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 722 8.137 -4.821 -4.397 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 723 12.735 -4.935 1.058 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 723 12.172 -5.639 1.378 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 723 13.561 -5.055 1.525 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 724 5.850 -5.427 -2.292 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 724 5.812 -5.027 -1.424 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 724 5.359 -6.244 -2.202 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 725 9.216 -8.053 -15.494 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 725 8.785 -8.498 -14.764 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 725 8.498 -7.681 -16.006 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 726 2.458 -8.311 -8.442 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 726 3.089 -8.340 -7.722 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 726 2.908 -8.736 -9.172 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 727 3.733 -7.565 -13.018 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 727 4.207 -6.974 -13.603 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 727 3.015 -7.034 -12.671 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 728 13.901 -4.026 -2.945 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 728 14.225 -4.657 -3.588 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 728 13.461 -4.561 -2.284 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 729 10.679 -8.099 -8.161 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 729 9.768 -8.042 -7.872 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 729 11.184 -8.159 -7.350 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 730 5.507 -6.470 -9.334 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 730 4.618 -6.370 -9.674 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 730 5.803 -7.312 -9.680 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 731 9.160 -6.470 -11.678 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 731 10.092 -6.341 -11.500 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 731 8.945 -5.800 -12.327 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 732 15.084 -8.864 -4.897 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 732 14.407 -8.733 -4.233 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 732 14.598 -9.019 -5.707 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 733 7.001 -9.175 -9.856 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 733 6.684 -10.077 -9.891 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 733 7.782 -9.173 -10.408 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 734 10.625 -6.923 -3.860 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 734 9.790 -6.469 -3.750 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 734 11.149 -6.647 -3.108 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 735 10.319 -3.437 1.122 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 735 10.023 -3.603 0.227 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 735 11.250 -3.657 1.112 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 736 4.424 -3.035 -14.414 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 736 5.040 -2.408 -14.035 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 736 3.562 -2.719 -14.143 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 737 4.936 -8.201 -1.533 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 737 4.043 -7.862 -1.600 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 737 4.837 -9.056 -1.115 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 738 13.671 -8.460 -2.643 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 738 14.369 -8.386 -1.993 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 738 13.290 -9.324 -2.488 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 739 12.191 -6.094 -1.526 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 739 12.310 -5.520 -0.769 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 739 12.846 -6.782 -1.411 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 740 12.539 -9.999 -9.773 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 740 12.192 -9.381 -9.128 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 740 13.197 -9.498 -10.254 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 741 8.196 -8.936 -13.085 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 741 8.113 -8.047 -12.739 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 741 9.086 -9.201 -12.854 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 742 18.395 -8.187 -0.691 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 742 17.479 -7.924 -0.779 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 742 18.731 -8.190 -1.588 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 743 4.771 -5.844 -14.909 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 743 4.726 -4.905 -14.730 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 743 3.883 -6.080 -15.179 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 744 8.484 -4.490 -0.997 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 744 7.866 -3.815 -0.716 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 744 8.828 -4.169 -1.830 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 745 10.818 -3.326 -2.182 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 745 11.569 -3.482 -2.755 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 745 10.479 -2.474 -2.458 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 746 15.234 -5.511 2.846 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 746 15.426 -6.442 2.735 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 746 16.091 -5.086 2.836 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 747 7.302 -5.937 1.997 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 747 6.535 -6.469 1.787 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 747 7.981 -6.247 1.398 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 748 14.022 -7.860 0.649 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 748 13.074 -7.828 0.781 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 748 14.334 -8.485 1.303 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 749 15.656 -9.226 2.654 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 749 15.559 -10.178 2.648 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 749 15.334 -8.957 3.515 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 750 5.483 -8.016 1.702 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 750 5.694 -8.723 1.091 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 750 5.371 -8.454 2.546 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 751 18.618 -6.178 -5.385 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 751 19.551 -5.966 -5.419 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 751 18.383 -6.076 -4.462 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 752 2.929 -6.993 0.868 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 752 3.848 -7.115 1.104 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 752 2.479 -7.743 1.257 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 753 20.930 -11.461 2.745 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 753 21.280 -12.115 2.139 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 753 21.077 -10.624 2.305 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 754 4.150 -8.681 -6.241 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 754 4.595 -9.473 -5.939 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 754 4.616 -7.965 -5.810 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 755 20.450 -9.352 1.094 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 755 19.533 -9.081 1.058 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 755 20.573 -9.887 0.310 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 756 2.767 -9.424 -11.117 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 756 1.842 -9.215 -11.247 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 756 3.221 -8.940 -11.807 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 757 19.451 -11.262 -1.087 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 757 18.638 -10.937 -1.475 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 757 19.684 -12.022 -1.620 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 758 12.881 -9.813 -6.764 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 758 12.206 -10.442 -6.509 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 758 13.445 -10.297 -7.367 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 759 19.750 -10.567 -8.318 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 759 20.362 -11.081 -8.845 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 759 20.133 -9.689 -8.295 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 760 9.787 -11.252 -9.129 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 760 10.661 -10.864 -9.159 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 760 9.651 -11.467 -8.206 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 761 15.344 -11.222 -7.480 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 761 15.420 -11.127 -8.429 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 761 15.068 -12.130 -7.351 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 762 16.697 -11.196 -11.787 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 762 15.994 -10.582 -11.997 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 762 16.252 -12.034 -11.656 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 763 5.905 -9.465 -14.696 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 763 6.396 -10.095 -15.224 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 763 6.528 -9.169 -14.033 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 764 10.931 -9.172 -12.239 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 764 11.109 -9.818 -11.556 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 764 10.877 -8.338 -11.772 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 765 13.061 -4.321 4.363 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 765 13.762 -4.299 5.014 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 765 13.363 -4.949 3.707 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 766 18.982 -11.657 5.774 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 766 18.083 -11.518 6.069 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 766 19.234 -10.826 5.372 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 767 9.160 -6.470 7.178 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 767 10.092 -6.341 7.356 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 767 8.945 -5.800 6.529 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 768 7.834 -5.275 4.745 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 768 7.292 -5.655 4.054 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 768 8.668 -5.081 4.316 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 769 7.001 -9.175 9.000 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 769 6.684 -10.077 8.965 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 769 7.782 -9.173 8.448 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 770 15.067 -7.896 4.880 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 770 14.129 -7.784 4.729 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 770 15.364 -7.039 5.186 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 771 15.785 -6.029 6.541 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 771 16.677 -6.166 6.860 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 771 15.842 -5.238 6.004 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 772 14.455 -8.808 7.310 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 772 14.675 -8.336 6.507 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 772 15.013 -8.413 7.981 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 773 11.655 -7.080 8.145 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 773 12.467 -6.576 8.191 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 773 11.410 -7.225 9.059 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 774 12.539 -9.999 9.083 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 774 12.192 -9.381 9.728 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 774 13.197 -9.498 8.602 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 775 8.196 -8.936 5.771 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 775 8.113 -8.047 6.117 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 775 9.086 -9.201 6.002 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 776 4.771 -5.844 3.947 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 776 4.726 -4.905 4.126 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 776 3.883 -6.080 3.677 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 777 10.266 -4.140 3.766 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 777 10.086 -4.294 2.838 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 777 11.217 -4.032 3.810 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 778 18.374 -8.314 3.069 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 778 18.984 -8.686 3.706 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 778 17.537 -8.736 3.265 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 779 20.486 -9.429 4.612 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 779 20.899 -10.150 4.136 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 779 21.168 -8.759 4.670 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 780 4.044 -11.381 5.717 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 780 4.483 -10.770 5.126 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 780 3.410 -10.843 6.191 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 781 9.787 -11.252 9.727 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 781 10.661 -10.864 9.697 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 781 9.651 -11.467 10.650 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 782 16.697 -11.196 7.069 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 782 15.994 -10.582 6.859 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 782 16.252 -12.034 7.200 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 783 5.905 -9.465 4.160 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 783 6.396 -10.095 3.632 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 783 6.528 -9.169 4.823 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 784 10.931 -9.172 6.617 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 784 11.109 -9.818 7.300 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 784 10.877 -8.338 7.084 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 785 26.400 -34.411 -37.295 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 785 26.408 -34.547 -38.243 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 785 25.484 -34.529 -37.043 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 786 29.467 -33.797 -40.822 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 786 29.830 -32.942 -41.055 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 786 29.999 -34.089 -40.081 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 787 23.443 -34.108 -40.810 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 787 23.660 -35.040 -40.841 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 787 23.690 -33.834 -39.926 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 788 22.654 -32.221 -36.457 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 788 23.194 -32.438 -35.698 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 788 22.173 -33.027 -36.647 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 789 27.251 -33.302 -34.837 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 789 28.019 -33.761 -34.496 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 789 27.230 -33.528 -35.767 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 790 26.733 -34.248 -40.082 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 790 26.308 -33.439 -40.365 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 790 27.638 -34.163 -40.384 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 791 31.044 -32.849 -37.123 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 791 31.229 -33.183 -36.245 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 791 31.891 -32.540 -37.445 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 792 33.389 -31.564 -37.879 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 792 34.066 -32.196 -38.119 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 792 33.711 -31.162 -37.071 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 793 24.135 -30.992 -40.035 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 793 23.415 -30.552 -40.486 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 793 23.769 -31.243 -39.186 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 794 26.602 -31.392 -41.005 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 794 25.737 -31.320 -40.601 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 794 26.547 -30.845 -41.789 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 795 31.313 -31.504 -41.829 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 795 30.856 -30.975 -42.483 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 795 31.476 -30.901 -41.104 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 796 23.550 -32.369 -43.124 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 796 23.531 -32.794 -42.267 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 796 24.355 -32.687 -43.533 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 797 21.997 -38.218 -21.149 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 797 21.496 -38.246 -21.964 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 797 22.003 -39.124 -20.839 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 798 21.748 -35.438 -24.265 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 798 22.694 -35.582 -24.284 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 798 21.635 -34.654 -23.728 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 799 24.246 -36.895 -20.106 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 799 24.463 -37.256 -19.246 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 799 23.391 -37.269 -20.316 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 800 23.443 -34.108 -21.954 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 800 23.660 -35.040 -21.985 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 800 23.690 -33.834 -21.070 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 801 28.318 -33.346 -31.557 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 801 28.479 -32.546 -32.058 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 801 28.121 -33.039 -30.672 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 802 22.654 -32.221 -17.601 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 802 23.194 -32.438 -16.842 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 802 22.173 -33.027 -17.791 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 803 31.343 -33.794 -34.606 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 803 30.699 -34.425 -34.284 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 803 32.105 -34.325 -34.838 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 804 22.561 -38.411 -16.647 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 804 22.705 -39.313 -16.933 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 804 21.788 -38.125 -17.135 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 805 29.020 -31.161 -32.945 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 805 29.953 -31.003 -32.801 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 805 28.756 -30.486 -33.570 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 806 21.237 -31.132 -28.385 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 806 20.590 -31.594 -28.918 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 806 21.592 -31.804 -27.802 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 807 22.107 -33.051 -26.580 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 807 21.773 -33.932 -26.408 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 807 22.329 -32.706 -25.716 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 808 23.779 -35.223 -17.485 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 808 22.958 -35.048 -17.945 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 808 23.527 -35.296 -16.564 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 809 24.135 -30.992 -21.179 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 809 23.415 -30.552 -21.630 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 809 23.769 -31.243 -20.330 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 810 23.550 -32.369 -24.268 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 810 23.531 -32.794 -23.411 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 810 24.355 -32.687 -24.677 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 811 31.665 -31.935 -32.700 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 811 32.531 -31.569 -32.878 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 811 31.418 -32.375 -33.513 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 812 24.619 -32.225 -34.072 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 812 24.351 -31.938 -33.199 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 812 25.390 -32.771 -33.920 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 813 25.367 -36.415 -5.437 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 813 24.997 -37.217 -5.806 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 813 26.308 -36.584 -5.390 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 814 22.687 -40.593 -7.918 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 814 22.901 -41.363 -7.391 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 814 23.425 -40.504 -8.521 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 815 26.547 -36.994 -2.410 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 815 26.541 -36.115 -2.788 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 815 25.693 -37.077 -1.985 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 816 22.668 -37.323 -11.628 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 816 22.396 -37.094 -12.517 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 816 22.713 -36.485 -11.168 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 817 26.400 -34.411 0.417 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 817 26.408 -34.547 -0.531 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 817 25.484 -34.529 0.669 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 818 21.997 -38.218 -2.293 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 818 21.496 -38.246 -3.108 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 818 22.003 -39.124 -1.983 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 819 24.992 -32.637 -9.264 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 819 25.144 -32.985 -8.385 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 819 24.141 -32.993 -9.519 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 820 24.246 -36.895 -1.250 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 820 24.463 -37.256 -0.390 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 820 23.391 -37.269 -1.460 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 821 27.525 -35.609 -9.001 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 821 28.052 -34.836 -9.202 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 821 26.645 -35.384 -9.303 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 822 27.636 -32.924 -9.880 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 822 26.686 -32.819 -9.828 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 822 27.987 -32.104 -9.535 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 823 24.695 -38.834 -12.922 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 823 24.009 -38.482 -12.355 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 823 25.218 -38.071 -13.168 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 824 28.318 -33.346 -12.701 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 824 28.479 -32.546 -13.202 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 824 28.121 -33.039 -11.816 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 825 25.311 -36.220 -14.025 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 825 25.903 -35.521 -13.749 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 825 25.770 -36.653 -14.744 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 826 23.365 -34.834 -10.075 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 826 22.533 -34.361 -10.048 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 826 23.911 -34.324 -10.674 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 827 27.251 -33.302 2.875 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 827 28.019 -33.761 3.216 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 827 27.230 -33.528 1.945 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 828 29.020 -31.161 -14.089 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 828 29.953 -31.003 -13.945 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 828 28.756 -30.486 -14.714 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 829 22.588 -36.525 -14.606 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 829 23.502 -36.446 -14.333 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 829 22.595 -37.212 -15.273 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 830 22.187 -39.976 -5.273 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 830 22.371 -40.058 -6.208 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 830 23.036 -40.100 -4.849 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 831 23.779 -35.223 1.371 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 831 22.958 -35.048 0.911 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 831 23.527 -35.296 2.292 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 832 26.733 -34.248 -2.370 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 832 26.308 -33.439 -2.653 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 832 27.638 -34.163 -2.672 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 833 24.135 -30.992 -2.323 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 833 23.415 -30.552 -2.774 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 833 23.769 -31.243 -1.474 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 834 26.602 -31.392 -3.293 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 834 25.737 -31.320 -2.889 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 834 26.547 -30.845 -4.077 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 835 25.691 -33.659 -6.757 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 835 25.472 -34.575 -6.588 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 835 26.515 -33.519 -6.291 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 836 28.228 -33.189 -5.909 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 836 28.441 -34.077 -6.196 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 836 28.293 -33.223 -4.954 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 837 24.619 -32.225 -15.216 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 837 24.351 -31.938 -14.343 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 837 25.390 -32.771 -15.064 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 838 24.992 -32.637 9.592 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 838 25.144 -32.985 10.471 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 838 24.141 -32.993 9.337 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 839 27.636 -32.924 8.976 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 839 26.686 -32.819 9.028 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 839 27.987 -32.104 9.321 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 840 28.318 -33.346 6.155 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 840 28.479 -32.546 5.654 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 840 28.121 -33.039 7.040 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 841 25.311 -36.220 4.831 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 841 25.903 -35.521 5.107 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 841 25.770 -36.653 4.112 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 842 23.365 -34.834 8.781 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 842 22.533 -34.361 8.808 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 842 23.911 -34.324 8.182 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 843 29.020 -31.161 4.767 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 843 29.953 -31.003 4.911 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 843 28.756 -30.486 4.142 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 844 22.588 -36.525 4.250 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 844 23.502 -36.446 4.523 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 844 22.595 -37.212 3.583 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 845 21.237 -31.132 9.327 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 845 20.590 -31.594 8.794 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 845 21.592 -31.804 9.910 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 846 22.801 -33.145 6.615 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 846 22.116 -33.183 5.947 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 846 22.804 -32.232 6.903 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 847 32.075 -21.624 -43.277 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 847 32.037 -22.270 -42.572 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 847 31.752 -22.090 -44.048 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 848 21.977 -23.899 -47.756 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 848 21.529 -23.053 -47.774 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 848 21.416 -24.479 -48.271 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 849 30.464 -19.191 -42.871 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 849 30.768 -19.877 -43.465 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 849 31.186 -19.073 -42.253 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 850 33.605 -24.797 -42.543 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 850 33.748 -25.744 -42.523 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 850 33.499 -24.590 -43.472 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 851 26.760 -26.696 -45.271 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 851 26.803 -25.836 -45.689 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 851 26.302 -27.248 -45.904 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 852 28.536 -22.749 -45.293 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 852 29.152 -23.275 -44.784 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 852 27.950 -23.389 -45.697 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 853 25.164 -25.886 -43.244 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 853 25.777 -25.253 -42.871 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 853 25.676 -26.358 -43.901 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 854 22.668 -18.467 -49.340 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 854 22.396 -18.238 -50.229 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 854 22.713 -17.629 -48.880 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 855 29.596 -30.472 -43.744 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 855 29.479 -31.421 -43.798 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 855 28.741 -30.140 -43.471 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 856 37.390 -18.597 -39.016 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 856 37.530 -19.188 -39.755 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 856 37.558 -17.724 -39.372 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 857 35.166 -23.251 -39.224 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 857 35.246 -22.488 -38.652 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 857 34.565 -22.972 -39.915 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 858 26.914 -20.795 -46.409 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 858 26.584 -21.165 -47.228 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 858 27.502 -21.465 -46.063 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 859 28.281 -17.367 -43.728 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 859 28.186 -17.945 -44.485 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 859 29.010 -17.738 -43.232 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 860 33.590 -16.523 -42.042 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 860 33.349 -15.861 -41.394 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 860 33.392 -17.357 -41.617 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 861 26.400 -15.555 -37.295 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 861 26.408 -15.691 -38.243 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 861 25.484 -15.673 -37.043 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 862 25.904 -21.725 -48.820 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 862 25.612 -20.957 -49.311 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 862 25.230 -22.385 -48.983 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 863 21.748 -16.582 -43.121 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 863 22.694 -16.726 -43.140 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 863 21.635 -15.798 -42.584 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 864 37.097 -24.423 -36.959 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 864 36.690 -23.942 -37.679 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 864 37.138 -25.328 -37.266 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 865 26.865 -29.569 -42.966 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 865 26.004 -29.656 -43.374 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 865 26.843 -28.713 -42.539 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 866 31.528 -29.847 -39.592 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 866 31.948 -30.262 -38.839 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 866 30.595 -30.025 -39.475 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 867 34.854 -26.091 -38.738 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 867 34.340 -26.217 -37.941 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 867 34.699 -25.179 -38.983 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 868 26.953 -24.382 -46.959 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 868 26.060 -24.723 -47.018 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 868 27.404 -24.759 -47.715 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 869 21.314 -27.167 -46.154 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 869 21.945 -27.196 -45.434 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 869 21.764 -27.592 -46.884 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 870 32.757 -22.882 -40.657 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 870 33.081 -23.513 -41.300 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 870 32.317 -23.417 -39.996 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 871 29.535 -26.955 -45.873 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 871 28.624 -26.898 -45.584 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 871 30.040 -27.015 -45.062 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 872 24.363 -25.326 -47.046 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 872 23.474 -25.226 -47.386 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 872 24.659 -26.168 -47.392 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 873 33.940 -27.720 -42.609 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 873 33.263 -27.589 -41.945 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 873 33.454 -27.875 -43.419 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 874 30.855 -24.167 -43.986 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 874 31.419 -24.714 -44.533 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 874 30.707 -24.689 -43.197 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 875 33.795 -16.920 -38.700 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 875 32.894 -16.737 -38.968 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 875 33.829 -16.661 -37.779 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 876 34.982 -21.081 -42.846 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 876 34.054 -21.313 -42.873 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 876 35.433 -21.858 -43.176 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 877 27.525 -16.753 -46.713 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 877 28.052 -15.980 -46.914 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 877 26.645 -16.528 -47.015 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 878 28.952 -19.090 -47.137 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 878 28.711 -18.165 -47.095 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 878 28.212 -19.549 -46.741 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 879 29.467 -14.941 -40.822 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 879 29.830 -14.086 -41.055 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 879 29.999 -15.233 -40.081 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 880 33.011 -18.842 -41.121 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 880 32.585 -19.069 -40.295 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 880 33.592 -19.580 -41.304 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 881 35.670 -14.290 -38.652 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 881 35.068 -14.845 -39.147 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 881 35.951 -13.623 -39.278 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 882 32.527 -27.316 -40.355 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 882 33.225 -27.242 -39.705 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 882 32.146 -28.180 -40.200 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 883 24.435 -29.918 -43.948 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 883 24.206 -29.859 -44.875 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 883 23.992 -30.710 -43.641 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 884 23.365 -15.978 -47.787 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 884 22.533 -15.505 -47.760 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 884 23.911 -15.468 -48.386 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 885 22.654 -13.365 -36.457 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 885 23.194 -13.582 -35.698 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 885 22.173 -14.171 -36.647 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 886 27.251 -14.446 -34.837 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 886 28.019 -14.905 -34.496 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 886 27.230 -14.672 -35.767 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 887 33.828 -16.066 -36.108 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 887 33.477 -16.922 -35.865 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 887 34.554 -15.923 -35.501 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 888 34.951 -19.669 -38.687 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 888 35.696 -19.081 -38.807 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 888 34.194 -19.087 -38.624 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 889 34.090 -24.367 -34.866 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 889 34.282 -25.298 -34.977 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 889 34.947 -23.942 -34.876 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 890 35.406 -21.578 -36.788 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 890 35.125 -20.869 -37.366 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 890 36.349 -21.651 -36.939 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 891 32.878 -26.716 -37.063 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 891 31.930 -26.684 -36.931 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 891 33.190 -27.341 -36.409 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 892 34.512 -28.082 -35.058 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 892 34.415 -29.034 -35.064 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 892 34.190 -27.813 -34.197 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 893 29.120 -30.871 -37.031 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 893 29.832 -31.511 -37.045 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 893 29.019 -30.604 -37.945 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 894 22.107 -14.195 -45.436 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 894 21.773 -15.076 -45.264 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 894 22.329 -13.850 -44.572 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 895 37.670 -18.029 -34.896 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 895 36.804 -18.134 -34.502 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 895 38.046 -17.270 -34.449 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 896 38.008 -21.228 -37.356 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 896 38.591 -21.962 -37.165 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 896 38.572 -20.456 -37.310 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 897 23.006 -27.537 -43.953 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 897 23.451 -28.329 -43.651 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 897 23.472 -26.821 -43.522 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 898 21.587 -29.542 -40.485 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 898 20.922 -29.788 -39.842 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 898 21.144 -28.920 -41.062 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 899 31.044 -13.993 -37.123 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 899 31.229 -14.327 -36.245 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 899 31.891 -13.684 -37.445 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 900 33.389 -12.708 -37.879 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 900 34.066 -13.340 -38.119 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 900 33.711 -12.306 -37.071 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 901 24.135 -12.136 -40.035 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 901 23.415 -11.696 -40.486 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 901 23.769 -12.387 -39.186 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 902 26.602 -12.536 -41.005 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 902 25.737 -12.464 -40.601 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 902 26.547 -11.989 -41.789 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 903 31.313 -12.648 -41.829 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 903 30.856 -12.119 -42.483 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 903 31.476 -12.045 -41.104 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 904 33.640 -13.770 -40.884 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 904 32.736 -13.605 -41.150 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 904 34.069 -12.917 -40.950 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 905 23.550 -13.513 -43.124 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 905 23.531 -13.938 -42.267 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 905 24.355 -13.831 -43.533 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 906 25.691 -14.803 -44.469 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 906 25.472 -15.719 -44.300 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 906 26.515 -14.663 -44.003 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 907 28.228 -14.333 -43.621 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 907 28.441 -15.221 -43.908 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 907 28.293 -14.367 -42.666 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 908 31.737 -28.669 -44.476 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 908 31.062 -29.298 -44.221 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 908 32.301 -29.153 -45.079 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 909 34.416 -30.838 -35.419 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 909 34.492 -31.264 -34.565 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 909 35.309 -30.824 -35.761 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 910 21.977 -23.899 -28.900 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 910 21.529 -23.053 -28.918 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 910 21.416 -24.479 -29.415 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 911 32.939 -18.278 -28.797 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 911 32.643 -18.600 -29.648 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 911 32.615 -17.378 -28.755 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 912 22.668 -18.467 -30.484 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 912 22.396 -18.238 -31.373 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 912 22.713 -17.629 -30.024 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 913 31.863 -21.635 -30.388 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 913 31.151 -21.100 -30.739 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 913 32.554 -21.579 -31.048 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 914 31.917 -23.177 -33.349 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 914 32.618 -23.155 -32.698 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 914 32.219 -23.805 -34.005 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 915 34.140 -22.263 -31.751 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 915 34.719 -22.113 -31.004 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 915 34.554 -21.792 -32.474 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 916 25.904 -21.725 -29.964 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 916 25.612 -20.957 -30.455 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 916 25.230 -22.385 -30.127 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 917 35.617 -21.230 -34.121 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 917 35.659 -21.453 -35.051 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 917 36.466 -20.832 -33.931 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 918 31.190 -27.354 -33.451 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 918 30.936 -27.335 -32.528 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 918 30.933 -28.226 -33.752 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 919 21.314 -27.167 -27.298 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 919 21.945 -27.196 -26.578 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 919 21.764 -27.592 -28.028 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 920 22.589 -26.421 -31.874 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 920 23.063 -25.830 -32.459 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 920 21.871 -25.890 -31.527 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 921 28.016 -25.326 -30.534 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 921 28.948 -25.197 -30.356 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 921 27.801 -24.656 -31.183 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 922 30.025 -19.566 -31.031 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 922 29.281 -20.073 -31.354 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 922 29.891 -19.517 -30.085 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 923 33.923 -26.752 -32.832 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 923 32.985 -26.640 -32.983 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 923 34.220 -25.895 -32.526 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 924 32.151 -18.107 -32.006 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 924 31.856 -17.281 -31.624 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 924 31.448 -18.727 -31.810 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 925 22.158 -21.810 -19.947 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 925 22.381 -22.228 -19.115 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 925 21.556 -22.423 -20.369 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 926 23.280 -21.891 -33.270 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 926 23.896 -21.264 -32.891 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 926 22.418 -21.575 -32.999 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 927 35.214 -17.913 -33.191 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 927 35.567 -18.293 -32.387 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 927 34.265 -18.006 -33.105 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 928 23.792 -27.057 -20.389 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 928 22.899 -26.718 -20.456 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 928 23.693 -27.912 -19.971 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 929 36.080 -19.240 -30.965 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 929 35.803 -19.968 -30.409 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 929 37.007 -19.121 -30.759 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 930 28.242 -17.231 -32.288 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 930 28.389 -17.751 -31.498 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 930 28.239 -16.324 -31.982 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 931 24.695 -19.978 -31.778 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 931 24.009 -19.626 -31.211 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 931 25.218 -19.215 -32.024 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 932 30.980 -15.533 -31.539 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 932 30.163 -15.036 -31.486 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 932 31.509 -15.058 -32.179 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 933 30.511 -25.936 -29.567 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 933 31.323 -25.432 -29.521 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 933 30.266 -26.081 -28.653 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 934 28.318 -14.490 -31.557 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 934 28.479 -13.690 -32.058 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 934 28.121 -14.183 -30.672 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 935 27.052 -27.792 -31.941 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 935 26.969 -26.903 -31.595 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 935 27.942 -28.057 -31.710 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 936 25.311 -17.364 -32.881 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 936 25.903 -16.665 -32.605 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 936 25.770 -17.797 -33.600 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 937 31.343 -14.938 -34.606 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 937 30.699 -15.569 -34.284 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 937 32.105 -15.469 -34.838 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 938 35.947 -15.121 -34.372 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 938 36.230 -15.915 -33.919 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 938 36.687 -14.888 -34.933 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 939 22.561 -19.555 -16.647 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 939 22.705 -20.457 -16.933 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 939 21.788 -19.269 -17.135 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 940 23.393 -22.355 -17.227 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 940 23.801 -23.212 -17.348 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 940 23.133 -22.340 -16.306 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 941 28.051 -21.239 -32.209 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 941 27.592 -21.723 -31.523 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 941 28.306 -21.907 -32.845 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 942 26.158 -24.793 -16.859 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 942 25.391 -25.325 -17.069 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 942 26.837 -25.103 -17.458 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 943 24.339 -26.872 -17.154 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 943 24.550 -27.579 -17.765 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 943 24.227 -27.310 -16.310 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 944 22.588 -17.669 -33.462 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 944 23.502 -17.590 -33.189 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 944 22.595 -18.356 -34.129 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 945 21.785 -25.849 -17.988 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 945 22.704 -25.971 -17.752 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 945 21.335 -26.599 -17.599 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 946 21.310 -24.538 -24.028 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 946 21.802 -24.759 -24.818 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 946 21.672 -23.697 -23.747 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 947 21.623 -28.280 -29.973 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 947 20.698 -28.071 -30.103 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 947 22.077 -27.796 -30.663 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 948 21.587 -29.542 -21.629 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 948 20.922 -29.788 -20.986 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 948 21.144 -28.920 -22.206 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 949 22.900 -30.237 -31.995 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 949 23.339 -29.626 -32.586 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 949 22.266 -29.699 -31.521 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 950 22.801 -14.289 -31.097 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 950 22.116 -14.327 -31.765 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 950 22.804 -13.376 -30.809 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 951 29.787 -28.028 -31.095 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 951 29.965 -28.674 -30.412 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 951 29.733 -27.194 -30.628 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 952 31.665 -13.079 -32.700 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 952 32.531 -12.713 -32.878 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 952 31.418 -13.519 -33.513 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 953 24.021 -29.521 -18.281 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 953 23.655 -30.286 -17.838 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 953 24.934 -29.492 -17.994 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 954 25.994 -30.170 -16.745 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 954 26.893 -30.444 -16.930 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 954 25.608 -30.913 -16.281 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 955 24.619 -13.369 -34.072 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 955 24.351 -13.082 -33.199 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 955 25.390 -13.915 -33.920 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 956 32.075 -21.624 -5.565 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 956 32.037 -22.270 -4.860 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 956 31.752 -22.090 -6.336 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 957 25.367 -17.559 -5.437 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 957 24.997 -18.361 -5.806 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 957 26.308 -17.728 -5.390 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 958 30.464 -19.191 -5.159 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 958 30.768 -19.877 -5.753 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 958 31.186 -19.073 -4.541 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 959 33.605 -24.797 -4.831 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 959 33.748 -25.744 -4.811 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 959 33.499 -24.590 -5.760 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 960 28.536 -22.749 -7.581 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 960 29.152 -23.275 -7.072 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 960 27.950 -23.389 -7.985 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 961 28.139 -20.102 -3.197 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 961 27.399 -19.504 -3.094 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 961 28.853 -19.548 -3.513 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 962 26.547 -18.138 -2.410 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 962 26.541 -17.259 -2.788 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 962 25.693 -18.221 -1.985 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 963 22.668 -18.467 -11.628 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 963 22.396 -18.238 -12.517 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 963 22.713 -17.629 -11.168 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 964 29.596 -30.472 -6.032 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 964 29.479 -31.421 -6.086 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 964 28.741 -30.140 -5.759 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 965 26.914 -20.795 -8.697 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 965 26.584 -21.165 -9.516 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 965 27.502 -21.465 -8.351 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 966 28.281 -17.367 -6.016 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 966 28.186 -17.945 -6.773 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 966 29.010 -17.738 -5.520 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 967 28.161 -17.627 -0.347 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 967 27.849 -16.845 0.109 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 967 27.511 -17.780 -1.033 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 968 26.400 -15.555 0.417 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 968 26.408 -15.691 -0.531 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 968 25.484 -15.673 0.669 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 969 25.904 -21.725 -11.108 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 969 25.612 -20.957 -11.599 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 969 25.230 -22.385 -11.271 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 970 24.246 -18.039 -1.250 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 970 24.463 -18.400 -0.390 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 970 23.391 -18.413 -1.460 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 971 26.865 -29.569 -5.254 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 971 26.004 -29.656 -5.662 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 971 26.843 -28.713 -4.827 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 972 31.528 -29.847 -1.880 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 972 31.948 -30.262 -1.127 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 972 30.595 -30.025 -1.763 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 973 31.591 -23.791 1.058 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 973 31.028 -24.495 1.378 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 973 32.417 -23.911 1.525 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 974 28.072 -26.909 -15.494 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 974 27.641 -27.354 -14.764 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 974 27.354 -26.537 -16.006 0.00 0.00 WAT1 ATOM 4359 OH2 TIP3 975 32.757 -22.882 -2.945 0.00 0.00 WAT1 ATOM 4360 H1 TIP3 975 33.081 -23.513 -3.588 0.00 0.00 WAT1 ATOM 4361 H2 TIP3 975 32.317 -23.417 -2.284 0.00 0.00 WAT1 ATOM 4362 OH2 TIP3 976 29.535 -26.955 -8.161 0.00 0.00 WAT1 ATOM 4363 H1 TIP3 976 28.624 -26.898 -7.872 0.00 0.00 WAT1 ATOM 4364 H2 TIP3 976 30.040 -27.015 -7.350 0.00 0.00 WAT1 ATOM 4365 OH2 TIP3 977 28.016 -25.326 -11.678 0.00 0.00 WAT1 ATOM 4366 H1 TIP3 977 28.948 -25.197 -11.500 0.00 0.00 WAT1 ATOM 4367 H2 TIP3 977 27.801 -24.656 -12.327 0.00 0.00 WAT1 ATOM 4368 OH2 TIP3 978 26.690 -24.131 -14.111 0.00 0.00 WAT1 ATOM 4369 H1 TIP3 978 26.148 -24.511 -14.802 0.00 0.00 WAT1 ATOM 4370 H2 TIP3 978 27.524 -23.937 -14.540 0.00 0.00 WAT1 ATOM 4371 OH2 TIP3 979 24.825 -19.574 0.988 0.00 0.00 WAT1 ATOM 4372 H1 TIP3 979 25.558 -19.320 1.549 0.00 0.00 WAT1 ATOM 4373 H2 TIP3 979 24.045 -19.370 1.503 0.00 0.00 WAT1 ATOM 4374 OH2 TIP3 980 30.855 -24.167 -6.274 0.00 0.00 WAT1 ATOM 4375 H1 TIP3 980 31.419 -24.714 -6.821 0.00 0.00 WAT1 ATOM 4376 H2 TIP3 980 30.707 -24.689 -5.485 0.00 0.00 WAT1 ATOM 4377 OH2 TIP3 981 31.545 -19.382 -0.938 0.00 0.00 WAT1 ATOM 4378 H1 TIP3 981 31.199 -19.763 -0.132 0.00 0.00 WAT1 ATOM 4379 H2 TIP3 981 31.345 -18.448 -0.867 0.00 0.00 WAT1 ATOM 4380 OH2 TIP3 982 25.150 -20.271 -6.406 0.00 0.00 WAT1 ATOM 4381 H1 TIP3 982 25.895 -20.273 -7.007 0.00 0.00 WAT1 ATOM 4382 H2 TIP3 982 25.228 -21.095 -5.924 0.00 0.00 WAT1 ATOM 4383 OH2 TIP3 983 29.175 -22.293 1.122 0.00 0.00 WAT1 ATOM 4384 H1 TIP3 983 28.879 -22.459 0.227 0.00 0.00 WAT1 ATOM 4385 H2 TIP3 983 30.106 -22.513 1.112 0.00 0.00 WAT1 ATOM 4386 OH2 TIP3 984 23.280 -21.891 -14.414 0.00 0.00 WAT1 ATOM 4387 H1 TIP3 984 23.896 -21.264 -14.035 0.00 0.00 WAT1 ATOM 4388 H2 TIP3 984 22.418 -21.575 -14.143 0.00 0.00 WAT1 ATOM 4389 OH2 TIP3 985 28.952 -19.090 -9.425 0.00 0.00 WAT1 ATOM 4390 H1 TIP3 985 28.711 -18.165 -9.383 0.00 0.00 WAT1 ATOM 4391 H2 TIP3 985 28.212 -19.549 -9.029 0.00 0.00 WAT1 ATOM 4392 OH2 TIP3 986 23.443 -15.252 -3.098 0.00 0.00 WAT1 ATOM 4393 H1 TIP3 986 23.660 -16.184 -3.129 0.00 0.00 WAT1 ATOM 4394 H2 TIP3 986 23.690 -14.978 -2.214 0.00 0.00 WAT1 ATOM 4395 OH2 TIP3 987 24.695 -19.978 -12.922 0.00 0.00 WAT1 ATOM 4396 H1 TIP3 987 24.009 -19.626 -12.355 0.00 0.00 WAT1 ATOM 4397 H2 TIP3 987 25.218 -19.215 -13.168 0.00 0.00 WAT1 ATOM 4398 OH2 TIP3 988 32.527 -27.316 -2.643 0.00 0.00 WAT1 ATOM 4399 H1 TIP3 988 33.225 -27.242 -1.993 0.00 0.00 WAT1 ATOM 4400 H2 TIP3 988 32.146 -28.180 -2.488 0.00 0.00 WAT1 ATOM 4401 OH2 TIP3 989 30.511 -25.936 -10.711 0.00 0.00 WAT1 ATOM 4402 H1 TIP3 989 31.323 -25.432 -10.665 0.00 0.00 WAT1 ATOM 4403 H2 TIP3 989 30.266 -26.081 -9.797 0.00 0.00 WAT1 ATOM 4404 OH2 TIP3 990 31.047 -24.950 -1.526 0.00 0.00 WAT1 ATOM 4405 H1 TIP3 990 31.166 -24.376 -0.769 0.00 0.00 WAT1 ATOM 4406 H2 TIP3 990 31.702 -25.638 -1.411 0.00 0.00 WAT1 ATOM 4407 OH2 TIP3 991 31.395 -28.855 -9.773 0.00 0.00 WAT1 ATOM 4408 H1 TIP3 991 31.048 -28.237 -9.128 0.00 0.00 WAT1 ATOM 4409 H2 TIP3 991 32.053 -28.354 -10.254 0.00 0.00 WAT1 ATOM 4410 OH2 TIP3 992 27.052 -27.792 -13.085 0.00 0.00 WAT1 ATOM 4411 H1 TIP3 992 26.969 -26.903 -12.739 0.00 0.00 WAT1 ATOM 4412 H2 TIP3 992 27.942 -28.057 -12.854 0.00 0.00 WAT1 ATOM 4413 OH2 TIP3 993 23.627 -24.700 -14.909 0.00 0.00 WAT1 ATOM 4414 H1 TIP3 993 23.582 -23.761 -14.730 0.00 0.00 WAT1 ATOM 4415 H2 TIP3 993 22.739 -24.936 -15.179 0.00 0.00 WAT1 ATOM 4416 OH2 TIP3 994 23.365 -15.978 -10.075 0.00 0.00 WAT1 ATOM 4417 H1 TIP3 994 22.533 -15.505 -10.048 0.00 0.00 WAT1 ATOM 4418 H2 TIP3 994 23.911 -15.468 -10.674 0.00 0.00 WAT1 ATOM 4419 OH2 TIP3 995 22.654 -13.365 1.255 0.00 0.00 WAT1 ATOM 4420 H1 TIP3 995 23.194 -13.582 2.014 0.00 0.00 WAT1 ATOM 4421 H2 TIP3 995 22.173 -14.171 1.065 0.00 0.00 WAT1 ATOM 4422 OH2 TIP3 996 22.561 -19.555 2.209 0.00 0.00 WAT1 ATOM 4423 H1 TIP3 996 22.705 -20.457 1.923 0.00 0.00 WAT1 ATOM 4424 H2 TIP3 996 21.788 -19.269 1.721 0.00 0.00 WAT1 ATOM 4425 OH2 TIP3 997 29.216 -19.585 1.642 0.00 0.00 WAT1 ATOM 4426 H1 TIP3 997 28.888 -19.314 0.784 0.00 0.00 WAT1 ATOM 4427 H2 TIP3 997 29.368 -20.526 1.554 0.00 0.00 WAT1 ATOM 4428 OH2 TIP3 998 28.051 -21.239 -13.353 0.00 0.00 WAT1 ATOM 4429 H1 TIP3 998 27.592 -21.723 -12.667 0.00 0.00 WAT1 ATOM 4430 H2 TIP3 998 28.306 -21.907 -13.989 0.00 0.00 WAT1 ATOM 4431 OH2 TIP3 999 29.122 -22.996 -15.090 0.00 0.00 WAT1 ATOM 4432 H1 TIP3 999 28.942 -23.150 -16.018 0.00 0.00 WAT1 ATOM 4433 H2 TIP3 999 30.073 -22.888 -15.046 0.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1000 29.674 -22.182 -2.182 0.00 0.00 WAT1 ATOM 4435 H1 TIP3 1000 30.425 -22.338 -2.755 0.00 0.00 WAT1 ATOM 4436 H2 TIP3 1000 29.335 -21.330 -2.458 0.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1001 28.898 -30.165 -1.990 0.00 0.00 WAT1 ATOM 4438 H1 TIP3 1001 28.800 -29.218 -2.096 0.00 0.00 WAT1 ATOM 4439 H2 TIP3 1001 28.155 -30.537 -2.466 0.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1002 30.162 -25.843 1.573 0.00 0.00 WAT1 ATOM 4441 H1 TIP3 1002 29.926 -26.063 2.475 0.00 0.00 WAT1 ATOM 4442 H2 TIP3 1002 29.379 -26.050 1.064 0.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1003 29.120 -30.871 0.681 0.00 0.00 WAT1 ATOM 4444 H1 TIP3 1003 29.832 -31.511 0.667 0.00 0.00 WAT1 ATOM 4445 H2 TIP3 1003 29.019 -30.604 -0.233 0.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1004 29.473 -29.188 2.735 0.00 0.00 WAT1 ATOM 4447 H1 TIP3 1004 29.342 -29.664 1.914 0.00 0.00 WAT1 ATOM 4448 H2 TIP3 1004 28.874 -28.444 2.679 0.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1005 22.588 -17.669 -14.606 0.00 0.00 WAT1 ATOM 4450 H1 TIP3 1005 23.502 -17.590 -14.333 0.00 0.00 WAT1 ATOM 4451 H2 TIP3 1005 22.595 -18.356 -15.273 0.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1006 21.237 -12.276 -9.529 0.00 0.00 WAT1 ATOM 4453 H1 TIP3 1006 20.590 -12.738 -10.062 0.00 0.00 WAT1 ATOM 4454 H2 TIP3 1006 21.592 -12.948 -8.946 0.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1007 22.107 -14.195 -7.724 0.00 0.00 WAT1 ATOM 4456 H1 TIP3 1007 21.773 -15.076 -7.552 0.00 0.00 WAT1 ATOM 4457 H2 TIP3 1007 22.329 -13.850 -6.860 0.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1008 23.779 -16.367 1.371 0.00 0.00 WAT1 ATOM 4459 H1 TIP3 1008 22.958 -16.192 0.911 0.00 0.00 WAT1 ATOM 4460 H2 TIP3 1008 23.527 -16.440 2.292 0.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1009 26.733 -15.392 -2.370 0.00 0.00 WAT1 ATOM 4462 H1 TIP3 1009 26.308 -14.583 -2.653 0.00 0.00 WAT1 ATOM 4463 H2 TIP3 1009 27.638 -15.307 -2.672 0.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1010 24.135 -12.136 -2.323 0.00 0.00 WAT1 ATOM 4465 H1 TIP3 1010 23.415 -11.696 -2.774 0.00 0.00 WAT1 ATOM 4466 H2 TIP3 1010 23.769 -12.387 -1.474 0.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1011 23.550 -13.513 -5.412 0.00 0.00 WAT1 ATOM 4468 H1 TIP3 1011 23.531 -13.938 -4.555 0.00 0.00 WAT1 ATOM 4469 H2 TIP3 1011 24.355 -13.831 -5.821 0.00 0.00 WAT1 ATOM 4470 OH2 TIP3 1012 25.691 -14.803 -6.757 0.00 0.00 WAT1 ATOM 4471 H1 TIP3 1012 25.472 -15.719 -6.588 0.00 0.00 WAT1 ATOM 4472 H2 TIP3 1012 26.515 -14.663 -6.291 0.00 0.00 WAT1 ATOM 4473 OH2 TIP3 1013 22.900 -30.237 -13.139 0.00 0.00 WAT1 ATOM 4474 H1 TIP3 1013 23.339 -29.626 -13.730 0.00 0.00 WAT1 ATOM 4475 H2 TIP3 1013 22.266 -29.699 -12.665 0.00 0.00 WAT1 ATOM 4476 OH2 TIP3 1014 28.643 -30.108 -9.129 0.00 0.00 WAT1 ATOM 4477 H1 TIP3 1014 29.517 -29.720 -9.159 0.00 0.00 WAT1 ATOM 4478 H2 TIP3 1014 28.507 -30.323 -8.206 0.00 0.00 WAT1 ATOM 4479 OH2 TIP3 1015 24.761 -28.321 -14.696 0.00 0.00 WAT1 ATOM 4480 H1 TIP3 1015 25.252 -28.951 -15.224 0.00 0.00 WAT1 ATOM 4481 H2 TIP3 1015 25.384 -28.025 -14.033 0.00 0.00 WAT1 ATOM 4482 OH2 TIP3 1016 29.787 -28.028 -12.239 0.00 0.00 WAT1 ATOM 4483 H1 TIP3 1016 29.965 -28.674 -11.556 0.00 0.00 WAT1 ATOM 4484 H2 TIP3 1016 29.733 -27.194 -11.772 0.00 0.00 WAT1 ATOM 4485 OH2 TIP3 1017 21.977 -23.899 8.812 0.00 0.00 WAT1 ATOM 4486 H1 TIP3 1017 21.529 -23.053 8.794 0.00 0.00 WAT1 ATOM 4487 H2 TIP3 1017 21.416 -24.479 8.297 0.00 0.00 WAT1 ATOM 4488 OH2 TIP3 1018 22.668 -18.467 7.228 0.00 0.00 WAT1 ATOM 4489 H1 TIP3 1018 22.396 -18.238 6.339 0.00 0.00 WAT1 ATOM 4490 H2 TIP3 1018 22.713 -17.629 7.688 0.00 0.00 WAT1 ATOM 4491 OH2 TIP3 1019 25.904 -21.725 7.748 0.00 0.00 WAT1 ATOM 4492 H1 TIP3 1019 25.612 -20.957 7.257 0.00 0.00 WAT1 ATOM 4493 H2 TIP3 1019 25.230 -22.385 7.585 0.00 0.00 WAT1 ATOM 4494 OH2 TIP3 1020 31.190 -27.354 4.261 0.00 0.00 WAT1 ATOM 4495 H1 TIP3 1020 30.936 -27.335 5.184 0.00 0.00 WAT1 ATOM 4496 H2 TIP3 1020 30.933 -28.226 3.960 0.00 0.00 WAT1 ATOM 4497 OH2 TIP3 1021 28.072 -26.909 3.362 0.00 0.00 WAT1 ATOM 4498 H1 TIP3 1021 27.641 -27.354 4.092 0.00 0.00 WAT1 ATOM 4499 H2 TIP3 1021 27.354 -26.537 2.850 0.00 0.00 WAT1 ATOM 4500 OH2 TIP3 1022 21.314 -27.167 10.414 0.00 0.00 WAT1 ATOM 4501 H1 TIP3 1022 21.945 -27.196 11.134 0.00 0.00 WAT1 ATOM 4502 H2 TIP3 1022 21.764 -27.592 9.684 0.00 0.00 WAT1 ATOM 4503 OH2 TIP3 1023 24.363 -25.326 9.522 0.00 0.00 WAT1 ATOM 4504 H1 TIP3 1023 23.474 -25.226 9.182 0.00 0.00 WAT1 ATOM 4505 H2 TIP3 1023 24.659 -26.168 9.176 0.00 0.00 WAT1 ATOM 4506 OH2 TIP3 1024 28.016 -25.326 7.178 0.00 0.00 WAT1 ATOM 4507 H1 TIP3 1024 28.948 -25.197 7.356 0.00 0.00 WAT1 ATOM 4508 H2 TIP3 1024 27.801 -24.656 6.529 0.00 0.00 WAT1 ATOM 4509 OH2 TIP3 1025 26.690 -24.131 4.745 0.00 0.00 WAT1 ATOM 4510 H1 TIP3 1025 26.148 -24.511 4.054 0.00 0.00 WAT1 ATOM 4511 H2 TIP3 1025 27.524 -23.937 4.316 0.00 0.00 WAT1 ATOM 4512 OH2 TIP3 1026 25.857 -28.031 9.000 0.00 0.00 WAT1 ATOM 4513 H1 TIP3 1026 25.540 -28.933 8.965 0.00 0.00 WAT1 ATOM 4514 H2 TIP3 1026 26.638 -28.029 8.448 0.00 0.00 WAT1 ATOM 4515 OH2 TIP3 1027 23.280 -21.891 4.442 0.00 0.00 WAT1 ATOM 4516 H1 TIP3 1027 23.896 -21.264 4.821 0.00 0.00 WAT1 ATOM 4517 H2 TIP3 1027 22.418 -21.575 4.713 0.00 0.00 WAT1 ATOM 4518 OH2 TIP3 1028 24.695 -19.978 5.934 0.00 0.00 WAT1 ATOM 4519 H1 TIP3 1028 24.009 -19.626 6.501 0.00 0.00 WAT1 ATOM 4520 H2 TIP3 1028 25.218 -19.215 5.688 0.00 0.00 WAT1 ATOM 4521 OH2 TIP3 1029 27.052 -27.792 5.771 0.00 0.00 WAT1 ATOM 4522 H1 TIP3 1029 26.969 -26.903 6.117 0.00 0.00 WAT1 ATOM 4523 H2 TIP3 1029 27.942 -28.057 6.002 0.00 0.00 WAT1 ATOM 4524 OH2 TIP3 1030 25.311 -17.364 4.831 0.00 0.00 WAT1 ATOM 4525 H1 TIP3 1030 25.903 -16.665 5.107 0.00 0.00 WAT1 ATOM 4526 H2 TIP3 1030 25.770 -17.797 4.112 0.00 0.00 WAT1 ATOM 4527 OH2 TIP3 1031 23.365 -15.978 8.781 0.00 0.00 WAT1 ATOM 4528 H1 TIP3 1031 22.533 -15.505 8.808 0.00 0.00 WAT1 ATOM 4529 H2 TIP3 1031 23.911 -15.468 8.182 0.00 0.00 WAT1 ATOM 4530 OH2 TIP3 1032 26.902 -19.211 3.197 0.00 0.00 WAT1 ATOM 4531 H1 TIP3 1032 26.966 -20.005 3.728 0.00 0.00 WAT1 ATOM 4532 H2 TIP3 1032 27.555 -19.330 2.508 0.00 0.00 WAT1 ATOM 4533 OH2 TIP3 1033 28.051 -21.239 5.503 0.00 0.00 WAT1 ATOM 4534 H1 TIP3 1033 27.592 -21.723 6.189 0.00 0.00 WAT1 ATOM 4535 H2 TIP3 1033 28.306 -21.907 4.867 0.00 0.00 WAT1 ATOM 4536 OH2 TIP3 1034 29.122 -22.996 3.766 0.00 0.00 WAT1 ATOM 4537 H1 TIP3 1034 28.942 -23.150 2.838 0.00 0.00 WAT1 ATOM 4538 H2 TIP3 1034 30.073 -22.888 3.810 0.00 0.00 WAT1 ATOM 4539 OH2 TIP3 1035 21.237 -12.276 9.327 0.00 0.00 WAT1 ATOM 4540 H1 TIP3 1035 20.590 -12.738 8.794 0.00 0.00 WAT1 ATOM 4541 H2 TIP3 1035 21.592 -12.948 9.910 0.00 0.00 WAT1 ATOM 4542 OH2 TIP3 1036 21.623 -28.280 7.739 0.00 0.00 WAT1 ATOM 4543 H1 TIP3 1036 20.698 -28.071 7.609 0.00 0.00 WAT1 ATOM 4544 H2 TIP3 1036 22.077 -27.796 7.049 0.00 0.00 WAT1 ATOM 4545 OH2 TIP3 1037 24.063 -30.035 9.914 0.00 0.00 WAT1 ATOM 4546 H1 TIP3 1037 23.286 -30.269 9.406 0.00 0.00 WAT1 ATOM 4547 H2 TIP3 1037 24.594 -30.832 9.922 0.00 0.00 WAT1 ATOM 4548 OH2 TIP3 1038 22.801 -14.289 6.615 0.00 0.00 WAT1 ATOM 4549 H1 TIP3 1038 22.116 -14.327 5.947 0.00 0.00 WAT1 ATOM 4550 H2 TIP3 1038 22.804 -13.376 6.903 0.00 0.00 WAT1 ATOM 4551 OH2 TIP3 1039 29.787 -28.028 6.617 0.00 0.00 WAT1 ATOM 4552 H1 TIP3 1039 29.965 -28.674 7.300 0.00 0.00 WAT1 ATOM 4553 H2 TIP3 1039 29.733 -27.194 7.084 0.00 0.00 WAT1 ATOM 4554 OH2 TIP3 1040 24.619 -13.369 3.640 0.00 0.00 WAT1 ATOM 4555 H1 TIP3 1040 24.351 -13.082 4.513 0.00 0.00 WAT1 ATOM 4556 H2 TIP3 1040 25.390 -13.915 3.792 0.00 0.00 WAT1 ATOM 4557 OH2 TIP3 1041 24.435 -11.062 -43.948 0.00 0.00 WAT1 ATOM 4558 H1 TIP3 1041 24.206 -11.003 -44.875 0.00 0.00 WAT1 ATOM 4559 H2 TIP3 1041 23.992 -11.854 -43.641 0.00 0.00 WAT1 ATOM 4560 OH2 TIP3 1042 29.120 -12.015 -37.031 0.00 0.00 WAT1 ATOM 4561 H1 TIP3 1042 29.832 -12.655 -37.045 0.00 0.00 WAT1 ATOM 4562 H2 TIP3 1042 29.019 -11.748 -37.945 0.00 0.00 WAT1 ATOM 4563 OH2 TIP3 1043 21.785 -6.993 -36.844 0.00 0.00 WAT1 ATOM 4564 H1 TIP3 1043 22.704 -7.115 -36.608 0.00 0.00 WAT1 ATOM 4565 H2 TIP3 1043 21.335 -7.743 -36.455 0.00 0.00 WAT1 ATOM 4566 OH2 TIP3 1044 21.587 -10.686 -40.485 0.00 0.00 WAT1 ATOM 4567 H1 TIP3 1044 20.922 -10.932 -39.842 0.00 0.00 WAT1 ATOM 4568 H2 TIP3 1044 21.144 -10.064 -41.062 0.00 0.00 WAT1 ATOM 4569 OH2 TIP3 1045 24.021 -10.665 -37.137 0.00 0.00 WAT1 ATOM 4570 H1 TIP3 1045 23.655 -11.430 -36.694 0.00 0.00 WAT1 ATOM 4571 H2 TIP3 1045 24.934 -10.636 -36.850 0.00 0.00 WAT1 ATOM 4572 OH2 TIP3 1046 25.994 -11.314 -35.601 0.00 0.00 WAT1 ATOM 4573 H1 TIP3 1046 26.893 -11.588 -35.786 0.00 0.00 WAT1 ATOM 4574 H2 TIP3 1046 25.608 -12.057 -35.137 0.00 0.00 WAT1 ATOM 4575 OH2 TIP3 1047 22.900 -11.381 -31.995 0.00 0.00 WAT1 ATOM 4576 H1 TIP3 1047 23.339 -10.770 -32.586 0.00 0.00 WAT1 ATOM 4577 H2 TIP3 1047 22.266 -10.843 -31.521 0.00 0.00 WAT1 ATOM 4578 OH2 TIP3 1048 21.587 -10.686 -2.773 0.00 0.00 WAT1 ATOM 4579 H1 TIP3 1048 20.922 -10.932 -2.130 0.00 0.00 WAT1 ATOM 4580 H2 TIP3 1048 21.144 -10.064 -3.350 0.00 0.00 WAT1 ATOM 4581 OH2 TIP3 1049 24.021 -10.665 0.575 0.00 0.00 WAT1 ATOM 4582 H1 TIP3 1049 23.655 -11.430 1.018 0.00 0.00 WAT1 ATOM 4583 H2 TIP3 1049 24.934 -10.636 0.862 0.00 0.00 WAT1 ATOM 4584 OH2 TIP3 1050 22.900 -11.381 5.717 0.00 0.00 WAT1 ATOM 4585 H1 TIP3 1050 23.339 -10.770 5.126 0.00 0.00 WAT1 ATOM 4586 H2 TIP3 1050 22.266 -10.843 6.191 0.00 0.00 WAT1 END